SCHEMBL1166375

SCHEMBL1166375

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
LMNA P02545 3/20 0.46
PKM P14618 2/20 0.44
GAA P10253 4/20 0.44
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
RECQL P46063 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.40

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
SCHEMBL27847486 0.88 HTT (0.46) KMT2ALMNAPKMGAAMEN1
SCHEMBL1167317 0.86 ALDH1A1 (0.59) KMT2ALMNAPKMGAAMEN1
Formaldehyde SCHEMBL27828683 0.86 HTT (0.44) KMT2ALMNAPKMGAAMEN1
SCHEMBL1166514 0.81 PKM (0.45) KMT2ALMNAPKMGAAMEN1
SCHEMBL27847431 0.80 KMT2A (0.43) KMT2ALMNAPKMGAAMEN1
SCHEMBL1167121 0.80 LMNA (0.43) KMT2ALMNAPKMGAAMEN1
SCHEMBL2823503 0.79 TDP1 (0.45) KMT2ALMNAPKMGAAMEN1
SCHEMBL1704139 0.79 LMNA (0.45) KMT2ALMNAPKMGAAMEN1
SCHEMBL1167498 0.76 ALDH1A1 (0.41) KMT2ALMNAPKMGAAALDH1A1
SCHEMBL2823500 0.76 TDP1 (0.43) KMT2ALMNAPKMGAAMEN1

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 KMT2A 2299/4885LMNA 4005/4885PKM 1045/4885

“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.