SCHEMBL1783029

SCHEMBL1783029

Cc1ccc(N=C=O)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
AR P10275 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
SYK P43405 1/20 0.35
FFAR4 Q5NUL3 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
KIF11 P52732 1/20 0.31

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
SCHEMBL9235250 0.81 CYP3A4 (0.49) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL31135862 0.80 CES2 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL10905501 0.80 CES2 (0.46) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL30438763 0.80 IDO1 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL3104369 0.80 CYP3A4 (0.50) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL424482 0.80 IDO1 (0.39) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL12509626 0.79 SMN1; SMN2 (0.38) ALDH1A1HPGDARSMN1; SMN2SYK
SCHEMBL21921291 0.79 NPC1 (0.41) CYP3A4ALDH1A1ARSMN1; SMN2SYK
SCHEMBL162277 0.79 RAB9A (0.40) CYP3A4TRPA1ALDH1A1HPGDTDP1
SCHEMBL29648862 0.79 RAB9A (0.40) CYP3A4TRPA1ALDH1A1HPGDTDP1

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
US-10107798-B2 Methods of chemotype evolution SUNESIS PHARMACEUTICALS, INC. (US) 2018-10-23 US disclosed
US-20180238863-A1 CHEMICAL SYNTHESIS SUNESIS PHARMACEUTICALS, INC. (US) 2018-08-23 US disclosed
EP-2257637-B1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS INC (US) 2015-09-23 EP disclosed
US-20110118126-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. 2011-05-19 US disclosed
EP-2257637-A1 METHODS OF CHEMOTYPE EVOLUTION Sunesis Pharmaceuticals, Inc. (US) 2010-12-08 EP disclosed
WO-2009120795-A1 METHODS OF CHEMOTYPE EVOLUTION SUNESIS PHARMACEUTICALS, INC. (US) 2009-10-01 WO disclosed
US-4466966-A N-aryl-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)ureas for intestinal disorders MCNEILAB, INC. (US) 1984-08-21 US disclosed
US-4285948-A ADMINISTERING CARDIOTONIC AGENTS MCNEILAB, INC. (US) 1981-08-25 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-20180238863-A1 CHEMICAL SYNTHESIS COASY, FASN, DHPS CYP3A4 136/4885TRPA1 4557/4885ALDH1A1 987/4885

“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.