SCHEMBL854476

SCHEMBL854476

CN1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.49
SCN2A Q99250 1/20 0.49
MAPT P10636 4/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
MAPK1 P28482 1/20 0.45
LMNA P02545 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CTSG P08311 1/20 0.42
CMA1 P23946 1/20 0.42
POLB P06746 1/20 0.41
ADRB1 P08588 1/20 0.41
ACHE P22303 1/20 0.41
PARL Q9H300 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CRHBP P24387 1/20 0.40
GFER P55789 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11273574 0.82 HPN (0.57) SCN2AMAPTALDH1A1GAALMNA
SCHEMBL10643664 0.80 SCN2A (0.54) SIRT6SCN2AMAPTALDH1A1GAA
Hydrochloric Acid SCHEMBL5160885 0.78 NPC1 (0.47) MAPTALDH1A1GAAMAPK1LMNA
SCHEMBL10192188 0.78 ELANE (0.57) MAPTALDH1A1GAAPKMLMNA
SCHEMBL3978601 0.77 ALDH1A1 (0.53) SIRT6SCN2AMAPTALDH1A1GAA
SCHEMBL12542066 0.77 GAA (0.47) MAPTALDH1A1GAAMAPK1LMNA
SCHEMBL852972 0.76 POLB (0.42) MAPTALDH1A1GAALMNAMEN1
SCHEMBL10858522 0.76 ELANE (0.47) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL11276548 0.75 ENPP2 (0.49) ALDH1A1GAAPKMMEN1KMT2A
SCHEMBL2557016 0.75 SCN2A (0.58) SIRT6SCN2AMAPTALDH1A1GAA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102827082-B Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO CO LTD 2015-01-07 CN disclosed
US-8901315-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-12-02 US disclosed
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
EP-1775298-B1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
EP-2433943-A1 Thienopyrazole derivatives having PDE7 inhibitory activity Daiichi Sankyo Company, Limited (JP) 2012-03-28 EP disclosed
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-07-07 US disclosed
US-7932250-B2 Thienopyrazole derivative having PDE7 inhibitory activity DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-26 US disclosed
US-7553976-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2009-06-30 US disclosed
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity ASUBIO PHARMA CO., LTD. (JP) 2009-05-21 US disclosed
US-7459558-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-02 US disclosed
US-6630461-B2 Enyme inhibitors for treating neurodegenerative diseases; inhibition of lipidic peroxidation and nitrogen oxide synthase in warm-blooded animal; for treatment of cardiovascular/brain disorders SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-10-07 US disclosed
US-6599903-B2 E.g., (S)-N-(4-(4-((3,4-dihydro-6-hydroxy-2,5,7,8-tetramethyl-2H-1-benzopyran-2 -yl)-carbonyl)-1-piperazinyl)phenyl)-2-thiophenecarboximidamide , or a salt thereof. SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-29 US disclosed
US-6586454-B2 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-07-01 US disclosed
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2003-04-24 US disclosed
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-18 US disclosed
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-04-11 US disclosed
US-20020007062-A1 Enyme inhibitors for treating neurodegenerative diseases; inhibition of lipidic peroxidation and nitrogen oxide synthase in warm-blooded animal; for treatment of cardiovascular/brain disorders SOCIETE DE CONSEILS DE RECHERCHES ET D' APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2002-01-17 US disclosed
US-6335445-B1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-01-01 US disclosed
EP-0991654-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-04-12 EP disclosed
WO-1998058934-A1 NOVEL 2-(IMINOMETHYL)AMINO-PHENYL DERIVATIVES, PREPARATION, APPLICATION AS MEDICINES AND COMPOSITIONS CONTAINING SAME SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 1998-12-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140073799-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B SIRT6 277/4885SCN2A 4350/4885MAPT 4119/4885
US-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia XDH, NOS2, NOS3 SIRT6 1840/4885SCN2A 520/4885MAPT 2317/4885
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, TH SIRT6 913/4885SCN2A 665/4885MAPT 86/4885
US-20110166343-A1 THIENOPYRAZOLE DERIVATIVE HAVING PDE7 INHIBITORY ACTIVITY PDE7A, PDE7B, PDE3B SIRT6 277/4885SCN2A 4350/4885MAPT 4119/4885
US-20020045753-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them MYADM, PIR, ACMSD SIRT6 3078/4885SCN2A 1376/4885MAPT 1207/4885
US-20020007062-A1 Enyme inhibitors for treating neurodegenerative diseases; inhibition of lipidic peroxidation and nitrogen oxide synthase in warm-blooded animal; for treatment of cardiovascular/brain disorders GPX1, HMOX1, GPX4 SIRT6 290/4885SCN2A 1932/4885MAPT 560/4885
US-20090131413-A1 Thienopyrazole Derivative Having PDE7 Inhibitory Activity PDE7A, PDE7B, PDE3B SIRT6 277/4885SCN2A 4350/4885MAPT 4119/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.