SCHEMBL1166514

SCHEMBL1166514

O=[N+]([O-])c1ccn(Cc2ccc(CO)o2)n1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.45
GAA P10253 4/20 0.44
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C19 P33261 2/20 0.42
RECQL P46063 1/20 0.42
LMNA P02545 3/20 0.41
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.39
F2 P00734 1/20 0.38
PLAU P00749 1/20 0.38
KLKB1 P03952 1/20 0.38
ELANE P08246 1/20 0.38
MEN1 O00255 1/20 0.37

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 0.82 HTT (0.46) PKMGAAKMT2ACYP1A2CYP3A4
SCHEMBL1166375 0.81 KMT2A (0.47) PKMGAAKMT2ACYP1A2CYP3A4
SCHEMBL1167121 0.81 LMNA (0.43) PKMGAAKMT2ACYP1A2CYP3A4
SCHEMBL1167498 0.81 ALDH1A1 (0.41) PKMGAAKMT2ACYP1A2CYP3A4
Formaldehyde SCHEMBL27828683 0.80 HTT (0.44) PKMGAAKMT2ACYP1A2CYP3A4
SCHEMBL27847431 0.79 KMT2A (0.43) PKMGAAKMT2ACYP1A2CYP3A4
SCHEMBL1167317 0.78 ALDH1A1 (0.59) PKMGAAKMT2ALMNAPOLB
SCHEMBL1166698 0.78 LMNA (0.41) PKMGAAKMT2ACYP1A2CYP3A4
SCHEMBL27847432 0.77 KMT2A (0.38) PKMGAAKMT2ACYP1A2CYP3A4
SCHEMBL1107514 0.76 PKM (0.55) PKMGAAKMT2ACYP1A2CYP3A4

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 7 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
CN-101903353-B Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2013-04-10 CN 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
CN-101903353-A Aminopyrazole derivatives ACTELION PHARMACEUTICALS LTD 2010-12-01 CN 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 PKM 1045/4885GAA 2359/4885KMT2A 2299/4885

“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.