SCHEMBL1166765

SCHEMBL1166765

CC(=O)c1coc(Cn2ccc([N+](=O)[O-])n2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 2/20 0.48
KMT2A Q03164 4/20 0.46
PKM P14618 1/20 0.43
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
RECQL P46063 1/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.39
CYP2D6 P10635 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL27828612 0.80 KMT2A (0.41) KMT2APKMGAALMNACYP1A2
SCHEMBL1167220 0.80 FPR2 (0.51) FPR2KMT2AALDH1A1MEN1
SCHEMBL13254733 0.79 FPR2 (0.50) FPR2KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL1166857 0.78 KMT2A (0.46) KMT2APKMGAALMNACYP1A2
SCHEMBL1703915 0.78 FPR2 (0.50) FPR2KMT2A
SCHEMBL1707155 0.77 FPR2 (0.51) FPR2KMT2AMEN1
SCHEMBL2685053 0.76 FPR2 (0.48) FPR2KMT2ACYP1A2CYP2C19ALDH1A1
SCHEMBL1706229 0.76 FPR2 (0.48) FPR2KMT2ACYP1A2CYP2C19POLB
SCHEMBL27828614 0.75 KMT2A (0.36) KMT2APKMGAALMNACYP1A2
SCHEMBL27882081 0.74 FPR2 (0.44) FPR2KMT2AMEN1

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 FPR2 1074/4885KMT2A 2299/4885PKM 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.