SCHEMBL1166444

SCHEMBL1166444

O=C(Nc1cnn(Cc2coc(CO)n2)c1)OCc1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.45
ALDH1A1 P00352 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PKM P14618 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
SCN9A Q15858 2/20 0.39
SCN5A Q14524 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
NCOR2 Q9Y618 1/20 0.38
FPR2 P25090 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
SCHEMBL1167051 0.87 SCD5 (0.41) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL1166726 0.86 SCD5 (0.44) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL1165817 0.86 SCD5 (0.44) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL1166896 0.85 SCD5 (0.43) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL1166398 0.84 SCD5 (0.43) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL2324786 0.82 FPR2 (0.41) SMN1; SMN2PTGDR2MAPTMEN1KMT2A
SCHEMBL1166942 0.81 SCD5 (0.45) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL1167053 0.81 SCD5 (0.40) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL27847259 0.81 ALDH1A1 (0.44) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT
SCHEMBL1167050 0.80 SCD (0.39) SCD5ALDH1A1SMN1; SMN2PTGDR2MAPT

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 SCD5 4238/4885ALDH1A1 96/4885SMN1; SMN2 4612/4885

“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.