SCHEMBL9946619

SCHEMBL9946619

CNc1cc(N(C)c2ccc(F)c(Cl)c2)c(C(=O)NCC(F)(F)F)cc1N

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.49
ALDH1A1 P00352 1/20 0.35
MAPK13 O15264 1/20 0.35
MAPK12 P53778 1/20 0.35
MAPK11 Q15759 1/20 0.35
MAPK14 Q16539 1/20 0.35
FADS1 O60427 1/20 0.34
EGFR P00533 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
POLQ O75417 1/20 0.32
HDAC1 Q13547 1/20 0.31
CNR2 P34972 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL9944850 0.89 PTGES (0.39) PTGESALDH1A1MAPK13MAPK12MAPK11
SCHEMBL9946610 0.81 PTGES (0.50) PTGESMAPK13MAPK12MAPK11MAPK14
SCHEMBL9944856 0.76 PTGES (0.39) PTGESALDH1A1EGFRKMT2A
SCHEMBL9946813 0.75 PTGES (0.42) PTGESMAPK14
SCHEMBL9946642 0.74 PTGES (0.42) PTGESMAPK14CNR2
SCHEMBL9946614 0.73 PTGES (0.44) PTGESALDH1A1KMT2A
SCHEMBL9944731 0.71 FADS1 (0.53) FADS1EGFRKMT2ATSHR
SCHEMBL9944997 0.70 POLB (0.38)
SCHEMBL9944849 0.69 IDO1 (0.45) PTGESFADS1EGFRKMT2ATSHR
SCHEMBL9899451 0.69 FADS1 (0.50) PTGESFADS1EGFRKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES PTGES 3/4885ALDH1A1 126/4885MAPK13 3108/4885

“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.