SCHEMBL1166698

SCHEMBL1166698

CC(F)(F)c1ccc(Cn2ccc([N+](=O)[O-])n2)o1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.38
PKM P14618 2/20 0.38
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
RECQL P46063 1/20 0.36
ALDH1A1 P00352 3/20 0.35
POLB P06746 3/20 0.34
CYP2D6 P10635 1/20 0.34
MEN1 O00255 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
SCHEMBL1704332 0.79 LMNA (0.33) LMNAKMT2AGAACYP1A2CYP2C19
SCHEMBL1166514 0.78 PKM (0.45) LMNAKMT2AGAAPKMCYP1A2
SCHEMBL1166788 0.77 LMNA (0.57) LMNAKMT2AGAAPKMCYP1A2
SCHEMBL1166375 0.76 KMT2A (0.47) LMNAKMT2AGAAPKMCYP1A2
SCHEMBL1167121 0.76 LMNA (0.43) LMNAKMT2AGAAPKMCYP1A2
SCHEMBL1167498 0.75 ALDH1A1 (0.41) LMNAKMT2AGAAPKMCYP1A2
SCHEMBL2822729 0.75 HIF1A (0.34) KMT2ACYP2C19MEN1
SCHEMBL27847486 0.74 HTT (0.46) LMNAKMT2AGAAPKMCYP1A2
SCHEMBL27847432 0.74 KMT2A (0.38) LMNAKMT2AGAAPKMCYP1A2
SCHEMBL27847431 0.74 KMT2A (0.43) LMNAKMT2AGAAPKMCYP1A2

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 5 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
EP-2242743-A1 AMINOPYRAZOLE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2010-10-27 EP disclosed
WO-2009077954-A1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2009-06-25 WO 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 LMNA 4005/4885KMT2A 2299/4885GAA 2359/4885

“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.