SCHEMBL1821058

SCHEMBL1821058

Cc1cc(C(c2ccccc2)(n2cccn2)C(F)(F)F)cc(C)c1NC(=O)c1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.40
BTK Q06187 4/20 0.38
LCK P06239 2/20 0.38
BLK P51451 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCC9 O60706 1/20 0.37
ABCC8 Q09428 1/20 0.37
KCNJ11 Q14654 1/20 0.37
KCNJ8 Q15842 1/20 0.37

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
SCHEMBL2261266 0.86 PTGS1 (0.46) PTGS1KDM4EALDH1A1GAABTK
SCHEMBL1822619 0.85 LMNA (0.48) KDM4EALDH1A1LMNAMAPTCYP2C19
SCHEMBL3434620 0.85 LMNA (0.35) KDM4EGAALMNAMAPTMEN1
SCHEMBL1822047 0.79 KDM4E (0.46) PTGS1KDM4EALDH1A1BTKMAPT
SCHEMBL1813928 0.78 PTGS1 (0.51) PTGS1KDM4EALDH1A1GAABTK
SCHEMBL1819296 0.77 KCNN4 (0.39)
SCHEMBL1843940 0.76 PTGS1 (0.56) PTGS1KDM4EALDH1A1GAABTK
SCHEMBL2259335 0.75 PTGS1 (0.55) PTGS1KDM4EALDH1A1GAABTK
SCHEMBL1820825 0.75 PTGS1 (0.55) PTGS1KDM4EALDH1A1GAALMNA
SCHEMBL2259943 0.72 PTGS1 (0.43) PTGS1KDM4EALDH1A1GAABTK

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-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

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.