SCHEMBL10129485

SCHEMBL10129485

CCOC(=O)Cn1nc(-c2ccc(Cl)s2)n(CCOC)c1=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.53
AVPR1A P37288 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.48
CYP2C19 P33261 3/20 0.43
POLB P06746 1/20 0.42
TSHR P16473 2/20 0.40
CYP2C9 P11712 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
NLRP3 Q96P20 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HTT P42858 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL167784 0.89 AVPR2 (0.55) AVPR2AVPR1ASMN1; SMN2POLBL3MBTL1
SCHEMBL8228881 0.84 SMN1; SMN2 (0.49) AVPR2AVPR1ASMN1; SMN2CYP2C19POLB
SCHEMBL8235827 0.82 TSHR (0.56) SMN1; SMN2CYP2C19POLBTSHRCYP2C9
SCHEMBL27865881 0.78 AVPR2 (0.47) AVPR2AVPR1ASMN1; SMN2POLBL3MBTL1
SCHEMBL166929 0.77 AVPR2 (0.45) AVPR2AVPR1ASMN1; SMN2POLBL3MBTL1
SCHEMBL12057217 0.75 AVPR2 (0.58) AVPR2AVPR1APOLBHTT
SCHEMBL8232910 0.75 AVPR2 (0.58) AVPR2AVPR1APOLBHTT
SCHEMBL8227237 0.74 AVPR2 (0.61) AVPR2AVPR1ACYP2C19POLBTSHR
SCHEMBL8232911 0.74 AVPR2 (0.75) AVPR2AVPR1APOLB
SCHEMBL12522761 0.74 AVPR2 (0.59) AVPR2AVPR1APOLB

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
EP-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed
EP-2616448-B1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER IP GMBH (DE) 2016-07-20 EP 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
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
US-9034855-B2 Substituted phenylacetate and phenylpropane amides and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-05-19 US disclosed
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-8796324-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-08-05 US disclosed
US-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-05 US disclosed
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-08-29 US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-09-20 US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 US disclosed
US-8202895-B2 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-19 US disclosed
CN-102438990-A Substituted 2-acetamido-5-aryl-1, 2, 4-triazolones and use thereof BAYER SCHERING PHARMA AG 2012-05-02 CN disclosed
WO-2012035075-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-22 WO disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-14 US disclosed
WO-2010105770-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-23 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-20130231313-A1 SUBSTITUTED PHENYLACETATE AND PHENYLPROPANE AMIDES AND USE THEREOF AADAC, NAT1, DNPEP AVPR2 905/4885AVPR1A 751/4885SMN1; SMN2 2497/4885
US-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 AVPR2 2370/4885AVPR1A 3230/4885SMN1; SMN2 2407/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 AVPR2 2370/4885AVPR1A 3230/4885SMN1; SMN2 2407/4885
US-20130225646-A1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF TNNT2, TNNI3, PNMT AVPR2 2657/4885AVPR1A 2960/4885SMN1; SMN2 1335/4885

“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.