SCHEMBL4628604

SCHEMBL4628604

O=C(CCc1cccc([N+](=O)[O-])c1)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
TRPV1 Q8NER1 1/20 0.71
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
RAB9A P51151 2/20 0.67
NPC1 O15118 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 4/20 0.57
HTT P42858 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 2/20 0.56

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
SCHEMBL1072370 0.86 ALDH1A1 (0.79) ALDH1A1TRPV1MEN1KMT2ARAB9A
SCHEMBL1072365 0.86 ALDH1A1 (0.79) ALDH1A1TRPV1MEN1KMT2ARAB9A
SCHEMBL4628138 0.86 ALDH1A1 (0.61) ALDH1A1TRPV1MEN1KMT2ARAB9A
SCHEMBL27546672 0.84 ALDH1A1 (0.76) ALDH1A1TRPV1MEN1KMT2ARAB9A
SCHEMBL306986 0.83 TRPV1 (0.65) ALDH1A1TRPV1MEN1KMT2ARAB9A
SCHEMBL4016784 0.83 ALDH1A1 (0.73) ALDH1A1MEN1KMT2ARAB9ANPC1
SCHEMBL10160140 0.82 ALDH1A1 (0.86) ALDH1A1TRPV1MEN1KMT2ARAB9A
SCHEMBL27671467 0.81 MAPT (0.86) ALDH1A1TRPV1MEN1KMT2ARAB9A
SCHEMBL4628541 0.80 MAPT (0.63) ALDH1A1RAB9AMAPTHTTGAA
SCHEMBL27546606 0.80 ALDH1A1 (0.65) ALDH1A1TRPV1MEN1KMT2ARAB9A

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 12 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
CN-1144799-C N-(iminomethyl) amine derivatives, their preparation, their use as medicines and compositions containing them ��ѧ�о���Ӧ����ѯ��˾ 2004-04-07 CN 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
CN-1335841-A N- (iminomethyl) amine derivatives, their preparation, their use as medicaments and pharmaceutical compositions containing them SOD CONSEILS RECH APPLIC (FR) 2002-02-13 CN 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 ALDH1A1 1206/4885TRPV1 1429/4885MEN1 1065/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 ALDH1A1 1097/4885TRPV1 1523/4885MEN1 1145/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 ALDH1A1 1257/4885TRPV1 1676/4885MEN1 918/4885

“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.