SCHEMBL1167211

SCHEMBL1167211

O=C(O)C=Cc1cc(F)c(Cl)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC4 P56524 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC7 Q8WUI4 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC10 Q969S8 2/20 0.48
HDAC11 Q96DB2 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC9 Q9UKV0 2/20 0.48
HDAC5 Q9UQL6 2/20 0.48
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
PKM P14618 2/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL1167208 1.00 HCAR2 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL584606 0.85 HCAR2 (0.50) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL584607 0.85 HCAR2 (0.50) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2434127 0.83 PKM (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL16049121 0.83 PKM (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL2434129 0.83 PKM (0.55) HCAR2HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL27944350 0.83 HCAR2 (0.48) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL20475356 0.82 HCAR2 (0.47) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1344144 0.81 KDM4E (0.53) HCAR2HDAC3HDAC4HDAC1HDAC7
SCHEMBL1344147 0.81 KDM4E (0.53) HCAR2HDAC3HDAC4HDAC1HDAC7

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
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP disclosed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US disclosed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 HCAR2 988/4885HDAC3 1388/4885HDAC4 2157/4885

“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.