SCHEMBL1132836

SCHEMBL1132836

NC(=S)NN1CCNCC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.37
GNAO1 P09471 2/20 0.37
GNAI1 P63096 2/20 0.37
HSD17B10 Q99714 1/20 0.35
CA12 O43570 3/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 3/20 0.31

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
SCHEMBL29289996 0.86
SCHEMBL28468503 0.82 GNAI3 (0.35) GNAI3GNAO1GNAI1HSD17B10
SCHEMBL28131967 0.82
SCHEMBL28754064 0.80 GNAI3 (0.34) GNAI3GNAO1GNAI1HSD17B10
SCHEMBL8897918 0.78 GNAI3 (0.38) GNAI3GNAO1GNAI1HSD17B10CA12
SCHEMBL5320211 0.77
SCHEMBL1459326 0.76 GNAI3 (0.44) GNAI3GNAO1GNAI1CA12CA1
SCHEMBL3910316 0.76 GNAI3 (0.37) GNAI3GNAO1GNAI1CA12CA1
SCHEMBL4436078 0.76 HSD17B10 (0.48) GNAI3GNAO1GNAI1HSD17B10CA12
SCHEMBL6068186 0.75 HTT (0.36) HSD17B10CA12CA1CA2CA9

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106188079-A 7 piperazine thioureas of camptothecine, preparation method and purposes 兰州大学 2016-12-07 CN claimed
US-20230100559-A1 Compositions and Methods for Treatment of Disease by Manipulation of Serine Metabolism THE TRUSTEES OF PRINCETON UNIVERSITY 2023-03-30 US disclosed
CN-106188079-A 7 piperazine thioureas of camptothecine, preparation method and purposes 兰州大学 2016-12-07 CN disclosed
US-8022071-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-20 US disclosed
EP-1309568-B1 [(quinazolin-4-yl)piperazin-4-yl]thiocarboxamide compounds as inhibitors of the phosphorylation of a PDGF receptor MILLENNIUM PHARM INC (US) 2011-02-16 EP disclosed
US-20090176780-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-07-09 US disclosed
US-7329655-B2 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
CN-1906199-A Diazaindole-dicarbonyl-piperazinyl antiviral agents BRISTOL MYERS SQUIBB CO (US) 2007-01-31 CN disclosed
US-20040176594-A1 Nitrogenous heterocyclic compounds MILLENNIUM PHARMACEUTICALS, INC. 2004-09-09 US disclosed
EP-1309568-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS Millennium Pharmaceuticals, Inc. (US) 2003-05-14 EP disclosed
WO-2002016361-A2 NITROGENOUS HETEROCYCLIC COMPOUNDS COR THERAPEUTICS, INC. (US) 2002-02-28 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-20230100559-A1 Compositions and Methods for Treatment of Disease by Manipulation of Serine Metabolism SHMT2, PC, ME2 GNAI3 1700/4885GNAO1 1177/4885GNAI1 1418/4885
US-20040176594-A1 Nitrogenous heterocyclic compounds WNK2, NPR1, NPR3 GNAI3 433/4885GNAO1 385/4885GNAI1 439/4885
US-20090176780-A1 NITROGENOUS HETEROCYCLIC COMPOUNDS WNK2, CDK5, WNK1 GNAI3 472/4885GNAO1 625/4885GNAI1 492/4885

“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.