SCHEMBL4625602

SCHEMBL4625602

CC(=O)N(Oc1ccc(N)cc1)c1ccc(Nc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.51
ALDH1A1 P00352 5/20 0.51
GAA P10253 3/20 0.51
HSP90AA1 P07900 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
ALOX12 P18054 2/20 0.50
HTT P42858 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NR4A1 P22736 1/20 0.45
POLB P06746 1/20 0.44
MEN1 O00255 6/20 0.43
KMT2A Q03164 6/20 0.43
PTPN7 P35236 1/20 0.43
PTPN12 Q05209 1/20 0.43
GFER P55789 1/20 0.41
CASP3 P42574 2/20 0.39
SENP7 Q9BQF6 2/20 0.39

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
SCHEMBL4625896 0.82 L3MBTL1 (0.57) MAPTALDH1A1GAAHSP90AA1L3MBTL1
Acetic Acid SCHEMBL1885307 0.78 MAPT (0.75) MAPTALDH1A1GAAHSP90AA1L3MBTL1
Acetic Acid SCHEMBL7093336 0.77 MAPT (0.72) MAPTALDH1A1GAAHSP90AA1L3MBTL1
SCHEMBL622873 0.75 ATM (0.47) ALDH1A1L3MBTL1HTTMEN1KMT2A
Diphenylamine SCHEMBL28104923 0.73 MAPT (0.64) MAPTALDH1A1GAAHSP90AA1L3MBTL1
SCHEMBL17710350 0.72 MAPT (0.55) MAPTALDH1A1GAAHSP90AA1L3MBTL1
SCHEMBL11764736 0.72 NR4A1 (0.85) MAPTALDH1A1GAAL3MBTL1ALOX12
SCHEMBL7007008 0.72 ALDH1A1 (0.69) MAPTALDH1A1GAAL3MBTL1ALOX12
SCHEMBL23028898 0.71 RAB9A (0.45) MAPTALDH1A1L3MBTL1HTTPOLB
SCHEMBL13644737 0.71 ALDH1A1 (1.00) MAPTALDH1A1GAAL3MBTL1ALOX12

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 MAPT 633/4885ALDH1A1 1206/4885GAA 992/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MAPT 744/4885ALDH1A1 1097/4885GAA 1122/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 MAPT 629/4885ALDH1A1 1257/4885GAA 1464/4885

“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.