SCHEMBL4625896

SCHEMBL4625896

CC(=O)N(Oc1ccc([N+](=O)[O-])cc1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 1/20 0.57
ALOX12 P18054 1/20 0.57
ALDH1A1 P00352 7/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CXCR2 P25025 1/20 0.48
MAPT P10636 8/20 0.47
HSP90AA1 P07900 1/20 0.47
GAA P10253 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
POLB P06746 2/20 0.44
MITF O75030 1/20 0.44
MAPK1 P28482 1/20 0.44
MYOC Q99972 1/20 0.44

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
SCHEMBL27456513 0.84 L3MBTL1 (0.47) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
SCHEMBL4625602 0.82 MAPT (0.51) L3MBTL1HPGDALOX12ALDH1A1MAPT
SCHEMBL224794 0.76 ALOX12 (1.00) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
SCHEMBL9479463 0.76 ALOX12 (1.00) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
SCHEMBL9717470 0.74 ALOX12 (0.96) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL3693418 0.74 ALOX12 (0.96) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
SCHEMBL6843249 0.72 MEN1 (0.70) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
SCHEMBL14819032 0.71 ALOX12 (0.89) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
SCHEMBL11318162 0.71 MAPT (0.73) L3MBTL1HPGDALOX12ALDH1A1SMN1; SMN2
SCHEMBL11158321 0.70 MEN1 (0.64) L3MBTL1HPGDALOX12SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1115720-B1 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOD CONSEILS RECH APPLIC (FR) 2008-07-02 EP disclosed
US-7186752-B2 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS (FR) 2007-03-06 US disclosed
US-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SCRAS 2005-09-08 US disclosed
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-03 US disclosed
US-6809090-B2 NITROGEN MONOXIDE SYNTHASE AND/OR LIPIDIC PEROXIDATION INHIBITORS IPSEN PHARMA S.A.S. (FR) 2004-10-26 US disclosed
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2004-05-20 US disclosed
US-6620840-B1 Nitric oxide synthase inhibitors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2003-09-16 US disclosed
US-6482822-B1 N-(iminomethyl)amines derivatives, their preparation, their use as medicines and compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2002-11-19 US disclosed
EP-1115720-A2 NOVEL N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2001-07-18 EP disclosed
WO-2000017191-A2 N-(IMINOMETHYL)AMINE DERIVATIVES, THEIR PREPARATION, THEIR USE AS MEDICINES AND COMPOSITIONS CONTAINING THEM SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2000-03-30 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 (3 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-20050197329-A1 Derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 L3MBTL1 4876/4885HPGD 92/4885ALOX12 527/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 L3MBTL1 4876/4885HPGD 84/4885ALOX12 476/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 L3MBTL1 4871/4885HPGD 114/4885ALOX12 555/4885

“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.