Sugi Predict

Sugi Predict / Compounds / SCHEMBL4628679

SCHEMBL4628679

SCHEMBL4628679

O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.71
▸ MEN1 O00255 7/20 0.71
▸ ALDH1A1 P00352 5/20 0.71
▸ MAPT P10636 3/20 0.71
▸ HTT P42858 1/20 0.71
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ HPGD P15428 1/20 0.64
▸ ALOX12 P18054 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ GAA P10253 1/20 0.63
▸ LMNA P02545 1/20 0.60
▸ EPHX2 P34913 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.57
▸ NPC1 O15118 1/20 0.55
▸ MITF O75030 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ HSP90AA1 P07900 1/20 0.54

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
SCHEMBL27841700 0.91 MEN1 (0.74) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL4627177 0.84 KMT2A (0.68) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9478851 0.83 EPHX2 (0.85) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4733997 0.83 KMT2A (1.00) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL18416955 0.81 MEN1 (0.71) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL11318162 0.80 MAPT (0.73) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6754266 0.80 ALDH1A1 (1.00) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL224794 0.80 ALOX12 (1.00) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL9479463 0.80 ALOX12 (1.00) KMT2AMEN1ALDH1A1MAPTHTT
SCHEMBL10054999 0.80 EPHX2 (0.92) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2

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 KMT2A 2652/4885MEN1 1065/4885ALDH1A1 1206/4885
US-20050027009-A1 New derivatives of N-(iminomethyl)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 KMT2A 2651/4885MEN1 1145/4885ALDH1A1 1097/4885
US-20040097494-A1 New derivatives of N-(iminomethy)amines, their preparation, their use as medicaments and the pharmaceutical compositions containing them NOS1, NOS2, NOS3 KMT2A 3045/4885MEN1 918/4885ALDH1A1 1257/4885

“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.