SCHEMBL10089972

SCHEMBL10089972

CCS(=O)(=O)NC(CN)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.45
DPP4 P27487 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
AOC3 Q16853 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 3/20 0.36
CYP2D6 P10635 1/20 0.36
NFKB1 P19838 1/20 0.36
HIF1A Q16665 1/20 0.36
PNMT P11086 1/20 0.35
BLM P54132 1/20 0.35
CASP1 P29466 1/20 0.35
CTSA P10619 2/20 0.34
MAPT P10636 2/20 0.34
SCN1A P35498 2/20 0.34
SCN5A Q14524 2/20 0.34
SCN8A Q9UQD0 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL256615 0.86 NISCH (0.46) NISCHDPP4ADRB2ADRB1AOC3
SCHEMBL256635 0.80 GAA (0.40) NISCHADRB2ADRB1LMNACYP2D6
SCHEMBL11624515 0.76 NISCH (0.53) NISCHDPP4ADRB2ADRB1AOC3
Hydrochloric Acid SCHEMBL11629925 0.75 NISCH (0.51) NISCHDPP4ADRB2ADRB1AOC3
Hydrochloric Acid SCHEMBL11651005 0.72 NISCH (0.45) NISCHADRB2ADRB1AOC3KMT2A
SCHEMBL8278779 0.72 NISCH (0.45) NISCHDPP4ADRB2ADRB1AOC3
SCHEMBL10217202 0.72 ADRB2 (0.40) NISCHADRB2ADRB1AOC3KMT2A
SCHEMBL168304 0.71 CTSA (0.47) NISCHKMT2ALMNACTSAMAPT
SCHEMBL257263 0.71 LMNA (0.55) NISCHKMT2ALMNACTSAMAPT
Hydrochloric Acid SCHEMBL19244881 0.71 BLM (0.40) NISCHADRB2ADRB1AOC3KMT2A

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
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
EP-2619188-B1 SUBSTITUTED N-PHENETHYLTRIAZOLONEACETAMIDES AND USE THEREOF BAYER IP GMBH (DE) 2015-05-06 EP disclosed
CN-103370309-A Substituted N-phenethyltriazoloneacetamides and use thereof BAYER IP GMBH 2013-10-23 CN 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 317/4885DPP4 149/4885ADRB2 539/4885

“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.