SCHEMBL6763655

SCHEMBL6763655

NCCCc1cc(-c2ccccc2C(N)=O)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCAT2 O15382 1/20 0.43
▸ CHEK1 O14757 1/20 0.43
▸ ALOX5AP P20292 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.39
▸ PARP1 P09874 1/20 0.37
▸ SCN9A Q15858 4/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CD38 P28907 1/20 0.37
▸ PDK2 Q15119 2/20 0.37
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ PDCD1 Q15116 3/20 0.35
▸ CD274 Q9NZQ7 3/20 0.35
▸ RORC P51449 1/20 0.35
▸ RORB Q92753 1/20 0.35
▸ SCN10A Q9Y5Y9 1/20 0.35

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
SCHEMBL31583298 0.78 BCAT2 (0.51) BCAT2CHEK1ALOX5APFEN1PARP1
SCHEMBL6187361 0.77 BCAT2 (0.44) BCAT2CHEK1ALOX5APFEN1SIRT2
SCHEMBL27635469 0.74 BCAT2 (0.62) BCAT2CHEK1ALOX5APFEN1PARP1
SCHEMBL27635470 0.74 BCAT2 (0.63) BCAT2CHEK1ALOX5APFEN1SCN9A
SCHEMBL6187171 0.74 BCAT2 (0.50) BCAT2CHEK1ALOX5APFEN1PARP1
SCHEMBL6763651 0.72 BCAT2 (0.42) BCAT2CHEK1ALOX5APFEN1PARP1
SCHEMBL5494348 0.71 MAPK8 (0.51) BCAT2CHEK1PDK2RORB
SCHEMBL3262902 0.70 ALDH1A1 (0.45) BCAT2SIRT2CYP3A4
SCHEMBL28260267 0.70 BCAT2 (0.45) BCAT2CHEK1ALOX5APFEN1CYP3A4
SCHEMBL3234092 0.70 ALOX5AP (0.60) BCAT2CHEK1ALOX5APFEN1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes THERAVANCE BIOPHARMA R&D IP, LLC 2004-02-05 — — US disclosed
US-20020028943-A1 Multibinding inhibitors of microsomal triglyceride transferase protein THERAVANCE BIOPHARMA R&D IP, LLC 2002-03-07 — — US disclosed
US-6288234-B1 FLUORINATED HETEROCYCLIC AMIDO AMINE COMPOUNDS AS DRUGS ADVANCED MEDICINE, INC. 2001-09-11 — — 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-20020028943-A1 Multibinding inhibitors of microsomal triglyceride transferase protein MTTP, CETP, HDLBP BCAT2 887/4885CHEK1 3386/4885ALOX5AP 3441/4885
US-20040023290-A1 Novel therapeutic agents that modulate enzymatic processes RNASE1, ENGASE, ENTPD5 BCAT2 1798/4885CHEK1 2644/4885ALOX5AP 3061/4885

“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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