SCHEMBL9898308

SCHEMBL9898308

CNc1cc(N(C)Cc2ccc(F)cc2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1N

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGES O14684 10/20 0.50
CNR1 P21554 7/20 0.38
CNR2 P34972 7/20 0.38
HPGD P15428 1/20 0.38
BRD4 O60885 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
SCHEMBL9898307 1.00 PTGES (0.50) PTGESCNR1CNR2HPGDBRD4
SCHEMBL9944778 0.90 CNR2 (0.48) PTGESCNR1CNR2HPGDBRD4
SCHEMBL9897645 0.86 PTGES (0.48) PTGESCNR1CNR2HPGDBRD4
SCHEMBL9897642 0.86 PTGES (0.48) PTGESCNR1CNR2HPGDBRD4
SCHEMBL9947009 0.84 PTGES (0.48) PTGES
SCHEMBL9946603 0.84 PTGES (0.48) PTGES
SCHEMBL9899130 0.83 PTGES (0.48) PTGES
SCHEMBL9946737 0.83 PTGES (0.48) PTGES
SCHEMBL9899126 0.83 PTGES (0.48) PTGES
SCHEMBL9899024 0.83 PTGES (0.48) PTGES

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
CN-103402987-A 6-Amino-2-phenylamino-1H-benzimidazole-5-carboxamide derivatives and their use as microsomal prostaglandin E2 synthase-1 inhibitors BOEHRINGER INGELHEIM INT 2013-11-20 CN 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 3/4885CNR1 66/4885CNR2 142/4885

“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.