SCHEMBL7074248

SCHEMBL7074248

Cc1nc(-c2ccc(CC(=O)O)cc2)no1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.57
LMNA P02545 3/20 0.52
TSHR P16473 2/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
HDAC4 P56524 4/20 0.49
HTT P42858 2/20 0.49
HPGD P15428 1/20 0.49
HDAC6 Q9UBN7 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ABCC4 O15439 1/20 0.47
GAA P10253 1/20 0.47
PTGS1 P23219 1/20 0.47
MAPT P10636 1/20 0.47

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
SCHEMBL7655650 0.84 PLK1 (0.57) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL12747582 0.82 L3MBTL1 (0.62) PLK1TSHRRAB9AL3MBTL1MAPT
SCHEMBL14210018 0.82 PLK1 (0.55) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL21683299 0.82 PLK1 (0.58) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL856937 0.80 PLK1 (0.55) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL326978 0.80 PLK1 (0.69) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL5568124 0.80 PLK1 (0.52) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL14810779 0.80 RXRA (0.50) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL13415301 0.79 L3MBTL1 (0.69) PLK1LMNATSHRNFKB1RAB9A
SCHEMBL6807698 0.79 PLK1 (0.67) PLK1LMNATSHRNFKB1RAB9A

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
CN-106414429-B Pyrazole compounds and their use as T-type calcium channel blockers 爱杜西亚药品有限公司 2020-01-03 CN disclosed
US-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-09-04 US disclosed
US-9932314-B2 Pyrazole compounds and their use as T-type calcium channel blockers IDORSIA PHARMACEUTICALS LTD (CH) 2018-04-03 US disclosed
EP-3152199-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS Actelion Pharmaceuticals Ltd. (CH) 2017-04-12 EP disclosed
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS IDORSIA PHARMACEUTICALS LTD (CH) 2017-04-06 US disclosed
WO-2015186056-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS ACTELION PHARMACEUTICALS LTD (CH) 2015-12-10 WO disclosed
EP-1025086-B1 BENZAMIDINE DERIVATIVES AS FACTOR XA INHIBITORS MERCK PATENT GMBH (DE) 2003-06-25 EP disclosed
US-6492368-B1 Benzamidine derivatives as factor XA inhibitors MERCK PATENT GMBH (DE) 2002-12-10 US 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-10065929-B2 Pyrazole compounds and their use as T-type calcium channel blockers CACNA1E, CACNA1I, CACNA1G PLK1 3844/4885LMNA 1368/4885TSHR 570/4885
US-20170096399-A1 PYRAZOLE COMPOUNDS AND THEIR USE AS T-TYPE CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1I, CACNA1G PLK1 3844/4885LMNA 1368/4885TSHR 570/4885

“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.