SCHEMBL255995

SCHEMBL255995

NCC(OC(N)=O)c1ccccc1Cl

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.44
CASP1 P29466 1/20 0.39
DPP4 P27487 1/20 0.39
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
AOC3 Q16853 1/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
IDO2 Q6ZQW0 2/20 0.38
CXCL8 P10145 1/20 0.36

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
SCHEMBL257268 0.87 PNMT (0.42) NISCHAVPR2AVPR1AIDO1TDO2
SCHEMBL3815968 0.87 CASP1 (0.39) NISCHCASP1AVPR2AVPR1AAOC3
SCHEMBL19236084 0.85 CASP1 (0.44) NISCHCASP1AVPR2AVPR1AAOC3
SCHEMBL28990562 0.84 MAPT (0.38) NISCHCASP1AVPR2AVPR1AAOC3
SCHEMBL12561078 0.84 CYP1A2 (0.46) NISCHCASP1AVPR2AVPR1AAOC3
SCHEMBL8741030 0.84 CYP1A2 (0.46) NISCHCASP1AVPR2AVPR1AAOC3
SCHEMBL28990608 0.83 CASP1 (0.40) NISCHCASP1AVPR2AVPR1AAOC3
SCHEMBL28990747 0.81 MAPT (0.37) CASP1AVPR2AVPR1AAOC3CXCL8
SCHEMBL28990701 0.81 MAPT (0.37) CASP1AVPR2AVPR1AAOC3CXCL8
SCHEMBL28990632 0.80 CASP1 (0.38) NISCHCASP1AVPR2AVPR1AAOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
US-9180120-B2 Substituted N-phenethyltriazoloneacetamides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-11-10 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
WO-2012028644-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-08 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 (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-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT NISCH 317/4885CASP1 668/4885DPP4 149/4885

“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.