SCHEMBL6436191

SCHEMBL6436191

C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
NPC1 O15118 3/20 0.62
TP53 P04637 1/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
CA2 P00918 3/20 0.59
CA1 P00915 2/20 0.59
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
HTT P42858 1/20 0.52
MAPK1 P28482 1/20 0.51
POLB P06746 2/20 0.51
ALDH1A1 P00352 2/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
MITF O75030 1/20 0.50
CES1 P23141 1/20 0.50

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
SCHEMBL8922768 1.00 RAB9A (0.62) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL31530471 0.86 RAB9A (0.57) RAB9ANPC1TP53SMN1; SMN2MEN1
SCHEMBL4488971 0.85 RAB9A (0.62) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL11103438 0.84 CA2 (0.71) RAB9ANPC1SMN1; SMN2CA2CA1
SCHEMBL11103451 0.84 CA2 (0.71) RAB9ANPC1SMN1; SMN2CA2CA1
SCHEMBL10820796 0.84 ALOX5 (0.53) RAB9ASMN1; SMN2CA2CA1MEN1
SCHEMBL789411 0.84 ALOX5 (0.53) RAB9ASMN1; SMN2CA2CA1MEN1
SCHEMBL11163745 0.83 RAB9A (0.61) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL5501691 0.82 RAB9A (0.59) RAB9ANPC1TP53SMN1; SMN2CA2
SCHEMBL2251023 0.82 KMT2A (0.58) TP53SMN1; SMN2MEN1KMT2AMAPT

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
JP-9124595-A None JP disclosed
JP-6107602-A None JP disclosed
EP-1492778-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS Warner-Lambert Company LLC (US) 2005-01-05 EP disclosed
US-6753340-B2 AUTOIMMUNE DISEASE, ANTIARTHRITIC AGENTS, ANTIALLERGENS, ANTICANCER AGENTS WARNER-LAMBERT COMPANY LLC 2004-06-22 US disclosed
US-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors WARNER-LAMBERT COMPANY LLC 2003-10-09 US disclosed
WO-2003082839-A1 (4,2-DISUBSTITUTED-THIAZOL-5-YL)AMINE COMPOUNDS AS PDE7 INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-10-09 WO disclosed
EP-1348701-A1 (2,4-disubstituted-thiazol-5-yl) amine compounds as PDE7 inhibitors Warner-Lambert Company LLC (US) 2003-10-01 EP disclosed
JP-H09124595-A REAGENT FOR OPTICAL RESOLUTION AND PRODUCTION OF OPTICALLY ACTIVE 3-AMINOPYRROLIDINE DERIVATIVE TORAY IND INC 1997-05-13 JP disclosed
JP-H06107602-A PRODUCTION OF OPTICALLY ACTIVE 1-PHENYLETHYLAMINE TORAY IND INC 1994-04-19 JP disclosed
US-4412992-A 2-Hydroxy-5-phenylazobenzoic acid derivatives and method of treating ulcerative colitis therewith BIOREX LABORATORIES LIMITED (GB) 1983-11-01 US 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 (1 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-20030191167-A1 (4,2-Disubstituted-thiazol-5-yl)amine compounds as PDE7 inhibitors PDE7A, PDE9A, PDE3A RAB9A 1013/4885NPC1 3381/4885TP53 4482/4885

“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.