SCHEMBL2500560

SCHEMBL2500560

COc1cc(C(=O)NC(C)(C)C)ccc1Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.41
AVPR1A P37288 3/20 0.41
MCHR1 Q99705 1/20 0.41
HSD11B1 P28845 2/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
F10 P00742 6/20 0.37
SMPD1 P17405 1/20 0.36
CXCR6 O00574 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
SCHEMBL2504102 0.90 AVPR2 (0.41) AVPR2AVPR1AMCHR1HSD11B1MEN1
SCHEMBL2514889 0.90 AVPR2 (0.43) AVPR2AVPR1AHSD11B1SMN1; SMN2
SCHEMBL2511673 0.89 AVPR2 (0.44) AVPR2AVPR1AMCHR1HSD11B1MEN1
SCHEMBL2513250 0.88 AVPR2 (0.50) AVPR2AVPR1AMCHR1MEN1KMT2A
SCHEMBL2501859 0.84 AVPR2 (0.42) AVPR2AVPR1AMEN1KMT2ASMN1; SMN2
SCHEMBL16167673 0.82 HSD11B1 (0.40) AVPR1AHSD11B1KMT2ASMN1; SMN2SMPD1
SCHEMBL7916915 0.82 HSD11B1 (0.40) HSD11B1SMN1; SMN2SMPD1CXCR6
Bicarbonate SCHEMBL16530565 0.80 KDM4E (0.47) AVPR2AVPR1AMEN1KMT2ASMN1; SMN2
SCHEMBL2513091 0.78 AVPR2 (0.43) AVPR2AVPR1ASMN1; SMN2
SCHEMBL2510281 0.76 AVPR2 (0.47) AVPR2AVPR1ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373632-B1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER IP GMBH (DE) 2015-03-04 EP disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
US-8859601-B2 Substituted benzyl and phenylsulfonyl triazolones, and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-10-14 US disclosed
EP-2373632-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF Bayer Pharma Aktiengesellschaft (DE) 2011-10-12 EP disclosed
US-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-10-06 US disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 WO disclosed
WO-2010063402-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-10 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-20110245308-A1 SUBSTITUTED BENZYL AND PHENYLSULFONYL TRIAZOLONES, AND USE THEREOF CHUK, BRSK2, IKBKE AVPR2 4117/4885AVPR1A 4399/4885MCHR1 4880/4885

“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.