SCHEMBL375607

SCHEMBL375607

Cc1[nH]c(C(F)(F)F)cc1C#N

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
AR P10275 9/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
TP53 P04637 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
BCAT2 O15382 7/20 0.36
BCAT1 P54687 7/20 0.36
PGR P06401 1/20 0.36

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
SCHEMBL28853728 0.76 BCAT2 (0.34) NOTUMARKDM4EALDH1A1GLA
SCHEMBL10590631 0.75 AR (0.54) ARKDM4EALDH1A1GLAGAA
SCHEMBL27349760 0.72 AR (0.52) ARBCAT2BCAT1
SCHEMBL27306662 0.72 KDM4E (0.34) NOTUMKDM4EALDH1A1GLAGAA
SCHEMBL9381741 0.72 NOTUM (0.53) NOTUMARKDM4EALDH1A1GAA
SCHEMBL6466233 0.72
SCHEMBL5369669 0.71 KIF11 (0.46) NOTUMARKDM4EALDH1A1GLA
SCHEMBL9193868 0.71 MAOA (0.45) ARKDM4EALDH1A1GLAGAA
SCHEMBL25805750 0.70 NOTUM (0.52) NOTUMKDM4EALDH1A1HPGDBCAT2
SCHEMBL5330560 0.70 AR (0.39) ARKDM4EALDH1A1GLAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103539716-A One group of 2-para chlorphenyl-4-substituted methyl-5- trifluoromethyl-3-cyanpyrrole compounds UNIV QINGDAO AGRICULTURAL 2014-01-29 CN claimed
CN-103539716-A One group of 2-para chlorphenyl-4-substituted methyl-5- trifluoromethyl-3-cyanpyrrole compounds UNIV QINGDAO AGRICULTURAL 2014-01-29 CN disclosed
US-8222274-B2 Pyrrole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2012-07-17 US disclosed
EP-1988075-B1 PYRROLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2012-01-25 EP disclosed
US-20090036421-A1 Pyrrole Derivative or Salt Thereof ASTELLAS PHARMA INC (JP) 2009-02-05 US disclosed
EP-1988075-A1 PYRROLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2008-11-05 EP 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-20090036421-A1 Pyrrole Derivative or Salt Thereof HTR7, HTR2B, SSTR5 NOTUM 1067/4885AR 2712/4885KDM4E 2389/4885

“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.