SCHEMBL2484728

SCHEMBL2484728

NC(=O)c1ccccc1-c1cccc(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.51
BCAT2 O15382 1/20 0.47
PDK2 Q15119 1/20 0.46
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
HSD11B1 P28845 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
SCN9A Q15858 4/20 0.40
PTGS1 P23219 1/20 0.40
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
AURKB Q96GD4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SCN10A Q9Y5Y9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL5143960 0.86 PARP1 (0.56) PARP1BCAT2PDK2LMNAGAA
SCHEMBL30608075 0.86 PARP1 (0.56) PARP1BCAT2PDK2LMNAGAA
SCHEMBL634076 0.84 PARP1 (0.47) PARP1PDK2LMNAGAAPTGS1
SCHEMBL30554614 0.84 PARP1 (0.47) PARP1PDK2LMNAGAAPTGS1
Hydrochloric Acid SCHEMBL7069187 0.83 PARP1 (0.46) PARP1PDK2LMNAGAAPTGS1
SCHEMBL5490483 0.83 TAS2R14 (0.50) PARP1BCAT2PDK2LMNAGAA
Hydrochloric Acid SCHEMBL3705049 0.79 PARP1 (0.44) PARP1PDK2LMNAGAAPTGS1
Trifluoroacetic Acid SCHEMBL4002171 0.79 L3MBTL1 (0.43) PARP1BCAT2PDK2LMNAGAA
SCHEMBL27635469 0.79 BCAT2 (0.62) PARP1BCAT2PDK2LMNAGAA
Acetic Acid SCHEMBL6002290 0.79 PARP1 (0.43) PARP1LMNAGAASCN9APTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2375904-A1 BIARYL CARBOXAMIDES Merck Sharp & Dohme Corp. (US) 2011-10-19 EP claimed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO claimed
US-8765736-B2 Benzenesulfonamide compounds and the use thereof PURDUE PHARMA L.P. (US) 2014-07-01 US disclosed
US-20100311792-A1 Benzenesulfonamide Compounds and the Use Thereof PURDUE PHARMA L.P. 2010-12-09 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 (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-20100311792-A1 Benzenesulfonamide Compounds and the Use Thereof CACNA1A, CACNA1E, CACNA1B PARP1 3306/4885BCAT2 3018/4885PDK2 3113/4885

“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.