SCHEMBL10217197

SCHEMBL10217197

CS(=O)(=O)NCC(N)c1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 2/20 0.41
▸ ADRB1 P08588 2/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MC4R P32245 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NISCH Q9Y2I1 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PER2 O15055 1/20 0.38
▸ CRY1 Q16526 1/20 0.38
▸ CRY2 Q49AN0 1/20 0.38
▸ CXCL8 P10145 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ BCDIN3D Q7Z5W3 2/20 0.37
▸ GRIA4 P48058 1/20 0.37
▸ RORC P51449 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
Hydrochloric Acid SCHEMBL19244813 0.98 BLM (0.41) ADRB2ADRB1GBA1L3MBTL1MC4R
SCHEMBL10216826 0.88 CYP1A2 (0.49) GBA1L3MBTL1MC4RRECQLCYP2D6
Hydrochloric Acid SCHEMBL3446737 0.86 LMNA (0.50) GBA1L3MBTL1MC4RRECQLCYP2D6
SCHEMBL10217202 0.86 ADRB2 (0.40) ADRB2ADRB1GBA1CYP2D6NFKB1
Hydrochloric Acid SCHEMBL19244881 0.84 BLM (0.40) ADRB2ADRB1GBA1CYP2D6NFKB1
SCHEMBL10216817 0.78 MC4R (0.41) GBA1L3MBTL1MC4RCYP2D6PER2
SCHEMBL10217209 0.78 NISCH (0.42) ADRB2ADRB1L3MBTL1CYP2D6NFKB1
Hydrochloric Acid SCHEMBL3446624 0.77 MC4R (0.40) GBA1L3MBTL1MC4RCYP2D6PER2
Hydrochloric Acid SCHEMBL19244832 0.77 NISCH (0.41) ADRB2ADRB1L3MBTL1CYP2D6NFKB1
SCHEMBL4985141 0.76 GBA1 (0.67) GBA1PER2CRY1CRY2AOC3

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 10 patents. 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
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-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
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 (2 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-20120238607-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 ADRB2 33/4885ADRB1 52/4885GBA1 775/4885
US-20100261771-A1 SUBSTITUTED 2-ACETAMIDO-5-ARYL-1,2,4-TRIAZOLONES AND USE THEREOF AADAC, NAT1, TNNT2 ADRB2 33/4885ADRB1 52/4885GBA1 775/4885

“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.

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