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SCHEMBL4627992

SCHEMBL4627992

O=C(CCCc1ccc([N+](=O)[O-])cc1)Oc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.54
▸ BCL9 O00512 1/20 0.52
▸ CTNNB1 P35222 1/20 0.52
▸ MAPT P10636 8/20 0.52
▸ KMT2A Q03164 7/20 0.52
▸ MEN1 O00255 4/20 0.49
▸ RAB9A P51151 3/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTT P42858 2/20 0.46
▸ NPSR1 Q6W5P4 2/20 0.46
▸ EGFR P00533 1/20 0.46
▸ ERBB2 P04626 1/20 0.46
▸ MAOB P27338 1/20 0.45
▸ CXCR2 P25025 1/20 0.45
▸ PTPRF P10586 1/20 0.45
▸ PTPN2 P17706 1/20 0.45

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
SCHEMBL28476103 0.89 MAPT (0.59) BCL9CTNNB1MAPTKMT2AMEN1
SCHEMBL3502645 0.84 BCL9 (0.58) HPGDBCL9CTNNB1MAPTKMT2A
SCHEMBL4627177 0.82 KMT2A (0.68) HPGDALOX12L3MBTL1MAPTKMT2A
SCHEMBL6659906 0.81 BCL9 (0.64) HPGDL3MBTL1BCL9CTNNB1MAPT
Butyric Acid SCHEMBL28859113 0.81 BCL9 (0.69) L3MBTL1BCL9CTNNB1MAPTKMT2A
SCHEMBL4627462 0.81 HPGD (0.59) HPGDALOX12L3MBTL1MAPTKMT2A
SCHEMBL531007 0.78 BCL9 (0.76) BCL9CTNNB1MAPTKMT2ARAB9A
SCHEMBL3919600 0.78 BCL9 (0.76) BCL9CTNNB1MAPTKMT2ARAB9A
Phenyl Propionic Acid SCHEMBL11756556 0.78 ALDH1A1 (0.60) L3MBTL1BCL9CTNNB1MAPTKMT2A
SCHEMBL8609687 0.78 GSK3B (0.59) BCL9CTNNB1MAPTKMT2ARAB9A

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 HPGD 92/4885ALOX12 527/4885L3MBTL1 4876/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 HPGD 84/4885ALOX12 476/4885L3MBTL1 4876/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 HPGD 114/4885ALOX12 555/4885L3MBTL1 4871/4885

“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.