Sugi Predict

Sugi Predict / Compounds / SCHEMBL4628138

SCHEMBL4628138

SCHEMBL4628138

O=C(CCNCc1cccc([N+](=O)[O-])c1)Nc1ccc(Nc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ MEN1 O00255 8/20 0.58
▸ KMT2A Q03164 8/20 0.58
▸ NPC1 O15118 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ TRPV1 Q8NER1 1/20 0.54
▸ MAPT P10636 2/20 0.53
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ GAA P10253 1/20 0.48
▸ DDX3X O00571 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ CTDSP1 Q9GZU7 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47
▸ THRB P10828 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ ALOX12 P18054 1/20 0.47

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
SCHEMBL4628604 0.86 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4404958 0.85 BAZ1A (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL4625780 0.81 HDAC1 (0.55) ALDH1A1MEN1KMT2ARAB9AMAPT
SCHEMBL4866357 0.78 MEN1 (0.67) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL10160140 0.78 ALDH1A1 (0.86) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL6675948 0.75 MEN1 (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL30482083 0.75 TSHR (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL1039984 0.75 TSHR (0.59) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6754266 0.74 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL29431572 0.74 L3MBTL1 (0.74) ALDH1A1MEN1KMT2ANPC1RAB9A

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 1206/4885MEN1 1065/4885KMT2A 2652/4885
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 1097/4885MEN1 1145/4885KMT2A 2651/4885
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 1257/4885MEN1 918/4885KMT2A 3045/4885

“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.