SCHEMBL9897645

SCHEMBL9897645

CNc1cc(N(C)Cc2ccc(F)cc2)c(C(=O)NC2CCC(C(F)(F)F)CC2)cc1[N+](=O)[O-]

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 7/20 0.48
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
BRD4 O60885 1/20 0.37
MITF O75030 1/20 0.37
CNR1 P21554 4/20 0.36
CNR2 P34972 4/20 0.36
HPGD P15428 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34
PSENEN Q9NZ42 1/20 0.34

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
SCHEMBL9897642 1.00 PTGES (0.48) PTGESALDH1A1MAPTBRD4MITF
SCHEMBL9944780 0.91 CNR2 (0.46) PTGESALDH1A1MAPTBRD4CNR1
SCHEMBL9898307 0.86 PTGES (0.50) PTGESBRD4CNR1CNR2HPGD
SCHEMBL9898308 0.86 PTGES (0.50) PTGESBRD4CNR1CNR2HPGD
SCHEMBL9898565 0.84 PTGES (0.46) PTGESALDH1A1MITF
SCHEMBL9898567 0.84 PTGES (0.46) PTGESALDH1A1MITF
SCHEMBL9899013 0.84 PTGES (0.45) PTGESALDH1A1MITF
SCHEMBL9899009 0.84 PTGES (0.45) PTGESALDH1A1MITF
SCHEMBL9899059 0.84 PTGES (0.46) PTGESALDH1A1MITF
SCHEMBL9899062 0.84 PTGES (0.46) PTGESALDH1A1MITF

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 3/4885ALDH1A1 126/4885MAPT 4336/4885

“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.