Sugi Predict

Sugi Predict / Compounds / SCHEMBL46669

SCHEMBL46669

SCHEMBL46669

CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 2/20 0.59
▸ CA2 P00918 2/20 0.59
▸ CA12 O43570 1/20 0.59
▸ CA3 P07451 1/20 0.59
▸ CA4 P22748 1/20 0.59
▸ CA6 P23280 1/20 0.59
▸ CA5A P35218 1/20 0.59
▸ CA7 P43166 1/20 0.59
▸ CA9 Q16790 1/20 0.59
▸ CA13 Q8N1Q1 1/20 0.59
▸ CA14 Q9ULX7 1/20 0.59
▸ CA5B Q9Y2D0 1/20 0.59
▸ GUSB P08236 1/20 0.57
▸ ALDH1A1 P00352 5/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP2D6 P10635 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52

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
SCHEMBL10126623 0.83 CA12 (0.59) CA1CA2CA12CA3CA4
SCHEMBL7014839 0.83 GUSB (0.56) CA1CA2CA12CA3CA4
SCHEMBL31195212 0.82 CA1 (0.57) CA1CA2CA12CA3CA4
SCHEMBL12377069 0.81 ALDH1A1 (0.56) GUSBALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL1970447 0.80 KMT2A (0.67) GUSBALDH1A1MAPK1HIF1ACYP3A4
SCHEMBL11294647 0.80 CA9 (0.59) CA1CA2CA12CA3CA4
SCHEMBL19241032 0.80 ALDH1A1 (0.62) CA1CA2CA12CA3CA4
SCHEMBL29451393 0.80 ALDH1A1 (0.62) CA1CA2CA12CA3CA4
SCHEMBL11216052 0.80 GUSB (0.56) CA1CA2GUSBALDH1A1MAPK1
SCHEMBL16305322 0.80 ALPL (0.60) CA1CA2CA12CA3CA4

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026085629-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, COMPOSITIONS COMPRISING THEM AND USES THEREOF Université de Montréal (CA) 2026-04-30 — — WO disclosed
WO-2012006038-A2 AGENTS AND COMPOUNDS FOR IMAGING AND OTHER APPLICATIONS, AND METHODS OF USE AND SYNTHESIS THEREOF THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-01-12 — — WO disclosed
CN-101212973-B 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV 2011-11-16 — — CN disclosed
EP-2044058-B1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-29 — — EP disclosed
US-20100240686-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2010-09-23 — — US disclosed
US-7700778-B2 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. (US) 2010-04-20 — — US disclosed
EP-1385506-B1 ACYLATED PIPERIDINE DERIVATES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2009-05-06 — — EP disclosed
EP-2044058-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2009-04-08 — — EP disclosed
EP-1521744-B1 ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS B1 BRADYKININ RECEPTOR ANTAGONISTS FOURNIER LAB SA (FR) 2009-04-01 — — EP disclosed
CN-101212973-A 4-phenyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives as medicaments for the treatment of infertility ORGANON NV (NL) 2008-07-02 — — CN disclosed
US-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
EP-1385506-A4 ACYLATED PIPERIDINE DERIVATES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO INC (US) 2004-07-07 — — EP disclosed
US-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20040092501-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MERCK SHARP & DOHME CORP. 2004-05-13 — — US disclosed
EP-1385506-A2 ACYLATED PIPERIDINE DERIVATES AS MELANOCORTIN-4 RECEPTOR AGONISTS Merck & Co., Inc. (US) 2004-02-04 — — EP disclosed
WO-2003106428-A1 NOVEL ARYLSULPHONAMIDE DERIVATIVES AND USE THEREOF AS THERAPEUTIC AGENTS LABORATOIRES FOURNIER SA (FR) 2003-12-24 — — WO disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — US disclosed
WO-2002067869-A2 ACYLATED PIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR AGONISTS MERCK & CO., INC. (US) 2002-09-06 — — WO disclosed
EP-1189612-A1 VLA-4 INHIBITOR COMPOUNDS Daiichi Pharmaceutical Co., Ltd. (JP) 2002-03-27 — — EP disclosed
WO-2001000206-A1 VLA-4 INHIBITOR COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-01-04 — — 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 (4 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 CA1 989/4885CA2 2157/4885CA12 1488/4885
US-20100240686-A1 CHEMICAL COMPOUNDS CCNI, CDKN1A, CCNB1 CA1 747/4885CA2 1207/4885CA12 1586/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 CA1 1030/4885CA2 2051/4885CA12 1463/4885
US-20040092501-A1 Acylated piperidine derivatives as melanocortin-4 receptor agonists MC4R, MC5R, MC3R CA1 4882/4885CA2 4769/4885CA12 4866/4885

“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.