SCHEMBL1167191

SCHEMBL1167191

Cc1cccc(/C=C\C(=O)Nc2ccn(Cc3ccc(C(C)(F)F)o3)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 2/20 0.43
CACNA1H O95180 2/20 0.43
CACNA1I Q9P0X4 2/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
RECQL P46063 1/20 0.40
HTT P42858 1/20 0.39
MMP1 P03956 5/20 0.39
MMP2 P08253 5/20 0.39
MMP9 P14780 5/20 0.39
EGFR P00533 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL1167251 1.00 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IMAPTALDH1A1
SCHEMBL1167193 1.00 CACNA1G (0.43) CACNA1GCACNA1HCACNA1IMAPTALDH1A1
SCHEMBL1166954 0.90 MEN1 (0.48) MAPTALDH1A1HPGDHTTMAOA
SCHEMBL1166366 0.90 SMN1; SMN2 (0.43) CACNA1GCACNA1HCACNA1IMAPTALDH1A1
SCHEMBL1166365 0.90 SMN1; SMN2 (0.43) CACNA1GCACNA1HCACNA1IMAPTALDH1A1
SCHEMBL1166892 0.90 MEN1 (0.48) MAPTALDH1A1HPGDHTTMAOA
SCHEMBL1166890 0.90 MEN1 (0.48) MAPTALDH1A1HPGDHTTMAOA
SCHEMBL1166521 0.89 RAB9A (0.44) CACNA1GCACNA1HCACNA1IMAPTALDH1A1
SCHEMBL1166522 0.89 RAB9A (0.44) CACNA1GCACNA1HCACNA1IMAPTALDH1A1
SCHEMBL1167524 0.89 RAB9A (0.44) CACNA1GCACNA1HCACNA1IMAPTALDH1A1

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 3 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

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 CACNA1G 2166/4885CACNA1H 2377/4885CACNA1I 927/4885

“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.