SCHEMBL1167028

SCHEMBL1167028

CC1(c2cncc(Cn3cc([N+](=O)[O-])cn3)c2)OCCO1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 4/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPT P10636 4/20 0.40
MAPK1 P28482 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTT P42858 3/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 2/20 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
SCHEMBL1166768 0.85 ALDH1A1 (0.53) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1167396 0.81 MEN1 (0.41) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1166935 0.81 LMNA (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1167435 0.80 ALDH1A1 (0.42) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1166779 0.78 SMN1; SMN2 (0.43) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1166940 0.77 LMNA (0.46) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1166762 0.76 LMNA (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1166803 0.76 LMNA (0.45) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1167012 0.74 LMNA (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1166548 0.74 LMNA (0.55) ALDH1A1LMNAMEN1KMT2AMAPT

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 ALDH1A1 96/4885LMNA 4005/4885MEN1 2602/4885

“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.