SCHEMBL4316372

SCHEMBL4316372

CC(C)(C)OC(=O)N1[C@@H](c2ccc([N+](=O)[O-])cc2)SC[C@H]1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.46
▸ MAPT P10636 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ FFAR2 O15552 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ PDE5A O76074 1/20 0.39
▸ CRHBP P24387 1/20 0.38
▸ GFER P55789 1/20 0.38
▸ CRHR2 Q13324 1/20 0.38
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL3072035 0.85 HSD17B10 (0.54) POLBGAARAB9AALDH1A1LMNA
SCHEMBL6185805 0.85 HSD17B10 (0.54) POLBGAARAB9AALDH1A1LMNA
SCHEMBL13091656 0.85 HSD17B10 (0.54) POLBGAARAB9AALDH1A1LMNA
SCHEMBL14024616 0.85 HSD17B10 (0.54) POLBGAARAB9AALDH1A1LMNA
SCHEMBL5713194 0.83 GAA (0.72) POLBGAARAB9AALDH1A1FFAR2
SCHEMBL8870150 0.82 POLB (0.51) POLBGAARAB9AALDH1A1MAPT
SCHEMBL8870521 0.82 POLB (0.51) POLBGAARAB9AALDH1A1MAPT
SCHEMBL4313439 0.80 ALDH1A1 (0.38) GAAALDH1A1MAPTLMNAKMT2A
SCHEMBL4313441 0.80 ALDH1A1 (0.38) GAAALDH1A1MAPTLMNAKMT2A
SCHEMBL8870492 0.76 KDM4E (0.46) POLBGAARAB9AALDH1A1FFAR2

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20080182993-A1 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.) 2008-07-31 — — US disclosed
US-7122535-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) 2006-10-17 — — US disclosed
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them DE LASSAUNIERE PIERRE ETIENNE (FR) 2005-08-25 — — US disclosed
US-20050043397-A1 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.) 2005-02-24 — — US disclosed
US-6809088-B2 FOR THERAPY OF STROKE, OF NEURODEGENERATIVE DISEASES AND OF ISCHEMIC OR HEMORRAGIC CARDIAC OR CEREBRAL INFARCTIONS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-26 — — 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

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-20020042511-A1 Neuronal Nitric oxide synthase inhibitors; use to treat ischemia XDH, NOS2, NOS3 POLB 2052/4885GAA 571/4885RAB9A 4147/4885
US-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADRB2, ADRA2C, PNMT POLB 4226/4885GAA 1533/4885RAB9A 3000/4885
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 POLB 2720/4885GAA 882/4885RAB9A 3408/4885
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, HMOX2 POLB 1847/4885GAA 942/4885RAB9A 2475/4885
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 POLB 2880/4885GAA 3379/4885RAB9A 3003/4885
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TYR, MB, F2 POLB 1799/4885GAA 3337/4885RAB9A 3334/4885
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 POLB 1915/4885GAA 529/4885RAB9A 3034/4885

“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.

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