SCHEMBL9898699

SCHEMBL9898699

CNc1cc(N(C)CC(F)F)c(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.47
PTGES O14684 1/20 0.47
KMT2A Q03164 2/20 0.43
MAPT P10636 4/20 0.41
FADS1 O60427 1/20 0.40
ALDH1A1 P00352 1/20 0.40
P2RX1 P51575 1/20 0.40
HTT P42858 1/20 0.40
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL9944732 0.90 EGFR (0.51) EGFRKMT2AMAPTFADS1ALDH1A1
SCHEMBL9899451 0.85 FADS1 (0.50) EGFRPTGESKMT2AMAPTFADS1
SCHEMBL9899351 0.83 FADS1 (0.49) EGFRKMT2AMAPTFADS1ALDH1A1
SCHEMBL9945002 0.83 FADS1 (0.49) EGFRKMT2AMAPTFADS1ALDH1A1
SCHEMBL9944834 0.79 EGFR (0.49) EGFRKMT2AMAPTFADS1ALDH1A1
SCHEMBL10169864 0.76 EGFR (0.50) EGFRPTGESKMT2AMAPTFADS1
SCHEMBL9944731 0.74 FADS1 (0.53) EGFRKMT2AMAPTFADS1TSHR
SCHEMBL9944974 0.74 MAPT (0.47) KMT2AMAPTALDH1A1HTTLMNA
SCHEMBL9944856 0.73 PTGES (0.39) EGFRPTGESKMT2AMAPTALDH1A1
SCHEMBL9944830 0.73 PTGES (0.47) EGFRPTGESKMT2AMAPTFADS1

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 4 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-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
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 EGFR 4542/4885PTGES 3/4885KMT2A 3376/4885

“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.