SCHEMBL2261135

SCHEMBL2261135

Cc1cc(C(C)n2nc(C(F)(F)F)cc2C(F)(F)F)cc(C)c1NC(=O)c1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 5/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
THRB P10828 1/20 0.38
BTK Q06187 3/20 0.38
LCK P06239 2/20 0.38
BLK P51451 1/20 0.38
GAA P10253 1/20 0.38
KDM4C Q9H3R0 1/20 0.37
CBLB Q13191 1/20 0.37
SRC P12931 1/20 0.37
TP53 P04637 1/20 0.36
CSF1R P07333 1/20 0.36
KIT P10721 1/20 0.36
KDR P35968 1/20 0.36
MAPK14 Q16539 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
CRACR2A Q9BSW2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL1818548 0.90 PTGS1 (0.42) PTGS1KDM4EALDH1A1THRBBTK
SCHEMBL1817408 0.76 KDM4E (0.44) KDM4EALDH1A1GAASMN1; SMN2
SCHEMBL1832883 0.71 KDM4E (0.39) KDM4EALDH1A1TP53
SCHEMBL1843940 0.71 PTGS1 (0.56) PTGS1KDM4EALDH1A1THRBBTK
SCHEMBL1819496 0.71 MEN1 (0.44) ALDH1A1BTKLCKTP53CSF1R
SCHEMBL7319746 0.71 ORAI1 (0.68) PTGS1THRBTP53CRACR2ASMN1; SMN2
SCHEMBL2259335 0.70 PTGS1 (0.55) PTGS1KDM4EALDH1A1THRBBTK
SCHEMBL1820825 0.70 PTGS1 (0.55) PTGS1KDM4EALDH1A1GAAKDM4C
SCHEMBL9789598 0.70 ALDH1A1 (0.68) PTGS1KDM4EALDH1A1THRBKDM4C
SCHEMBL21727457 0.69 ALDH1A1 (0.53) PTGS1KDM4EALDH1A1THRBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 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-20110201603-A1 Novel Acylaminobenzamide Derivatives KCNB1, KCNA5, KCNA7 PTGS1 4027/4885KDM4E 849/4885ALDH1A1 271/4885

“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.