SCHEMBL66632

SCHEMBL66632

NCCNS(=O)(=O)c1ccc(Cl)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.70
TSHR P16473 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
ALDH1A1 P00352 4/20 0.57
TP53 P04637 1/20 0.57
GAA P10253 1/20 0.57
KDM4E B2RXH2 1/20 0.57
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CYP19A1 P11511 1/20 0.53
TBXA2R P21731 1/20 0.53
MAPT P10636 1/20 0.53
CA12 O43570 1/20 0.52
CA3 P07451 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 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
Hydrochloric Acid SCHEMBL1580080 0.98 CYP3A4 (0.68) CYP3A4TSHRNPSR1MEN1KMT2A
SCHEMBL5708667 0.87 ALDH1A1 (0.60) CYP3A4TSHRNPSR1MEN1KMT2A
SCHEMBL11629929 0.86 ALDH1A1 (0.59) CYP3A4TSHRNPSR1MEN1KMT2A
SCHEMBL7920724 0.85 TSHR (0.67) TSHRNPSR1MEN1KMT2AALDH1A1
SCHEMBL5352151 0.85 TSHR (0.62) TSHRNPSR1MEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL11625827 0.84 KMT2A (0.58) CYP3A4TSHRNPSR1MEN1KMT2A
SCHEMBL19603054 0.84 CYP3A4 (0.75) CYP3A4MEN1KMT2AALDH1A1GAA
SCHEMBL7053334 0.83 CYP3A4 (0.54) CYP3A4TSHRNPSR1MEN1KMT2A
SCHEMBL9126468 0.83 MEN1 (0.78) MEN1KMT2AALDH1A1TP53GAA
SCHEMBL9577200 0.82 ALDH1A1 (0.68) TSHRNPSR1MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-9216954-B2 Serine racemase inhibitor NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2015-12-22 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
US-20140371291-A1 SERINE RACEMASE INHIBITOR NATIONAL UNIVERSITY CORPORATION UNIVERSITY OF TOYAMA (JP) 2014-12-18 US disclosed
CN-104220058-A Serine racemase inhibitor NAT UNIV CORP UNIV TOYAMA 2014-12-17 CN disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
EP-2808014-A1 SERINE RACEMASE INHIBITOR National University Corporation University Of Toyama (JP) 2014-12-03 EP disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof NOVARTIS AG (CH) 2013-08-15 US disclosed
WO-2013111798-A1 SERINE RACEMASE INHIBITOR 国立大学法人 富山大学 (JP) 2013-08-01 WO disclosed
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 US disclosed
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same ONCOTHERAPY SCIENCE, INC. (JP) 2011-08-04 US disclosed
EP-2309855-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME Oncotherapy Science, Inc. (JP) 2011-04-20 EP disclosed
EP-2274300-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF Novartis AG (CH) 2011-01-19 EP disclosed
WO-2010014794-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-02-04 WO disclosed
WO-2010014794-A1 BENZOIMIDAZOLE DERIVATIVES AND GLYCOGEN SYNTHASE KINASE-3 BETA INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2010-02-04 WO disclosed
US-20100003246-A1 Novel heterocyclic compounds and uses therof NOVARTIS AG (CH) 2010-01-07 US disclosed
WO-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed
US-4036855-A Phthalides and process for preparing same SANDOZ, INC. (US) 1977-07-19 US disclosed
US-3943147-A Process for imidazo isoindoles SANDOZ, INC. (US) 1976-03-09 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 (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-20140371291-A1 SERINE RACEMASE INHIBITOR SRR, PRSS1, ME1 CYP3A4 2748/4885TSHR 4233/4885NPSR1 4003/4885
US-20110190351-A1 Benzoimidazole Derivatives and Glycogen Synthase Kinase-3 Beta Inhibitors Containing the Same GSK3B, GSK3A, GYS2 CYP3A4 1466/4885TSHR 4605/4885NPSR1 4508/4885
US-20100003246-A1 Novel heterocyclic compounds and uses therof BRAF, ARAF, KRAS CYP3A4 4401/4885TSHR 3286/4885NPSR1 4364/4885
US-20130210818-A1 Novel Heterocyclic Compounds and Uses Thereof BRAF, RAF1, HRAS CYP3A4 3917/4885TSHR 3980/4885NPSR1 4625/4885

“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.