SCHEMBL1818548

SCHEMBL1818548

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.38
BTK Q06187 4/20 0.38
LCK P06239 3/20 0.38
BLK P51451 1/20 0.38
GAA P10253 1/20 0.37
KDM4C Q9H3R0 1/20 0.36
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
CRACR2A Q9BSW2 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 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
SCHEMBL2261135 0.90 PTGS1 (0.43) PTGS1KDM4EALDH1A1THRBBTK
SCHEMBL1817408 0.86 KDM4E (0.44) KDM4EALDH1A1GAASMN1; SMN2MEN1
SCHEMBL1819496 0.80 MEN1 (0.44) ALDH1A1BTKLCKTP53CSF1R
SCHEMBL1843940 0.71 PTGS1 (0.56) PTGS1KDM4EALDH1A1THRBBTK
SCHEMBL7319746 0.70 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
SCHEMBL21727465 0.67 KDM4E (0.57) PTGS1KDM4EALDH1A1BTKLCK

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 5 patents. 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
US-20110201603-A1 Novel Acylaminobenzamide Derivatives BAYER CROPSCIENCE AG (DE) 2011-08-18 US disclosed
EP-2318358-A2 ACYLAMINOBENZAMIDE DERIVATIVES Bayer CropScience AG (DE) 2011-05-11 EP disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO disclosed
WO-2010015355-A2 NOVEL ACYLAMINOBENZAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-02-11 WO 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.