SCHEMBL1167397

SCHEMBL1167397

COc1cccc(/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
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 2/20 0.43
MMP1 P03956 4/20 0.42
MMP2 P08253 4/20 0.42
MMP9 P14780 4/20 0.42
KDM4E B2RXH2 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
KMT2A Q03164 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 2/20 0.41
ACHE P22303 2/20 0.41
TRPV1 Q8NER1 2/20 0.40
MAOB P27338 1/20 0.40

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
SCHEMBL1166201 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1166202 1.00 ALDH1A1 (0.43) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1166958 0.90 SMN1; SMN2 (0.46) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1167147 0.90 SMN1; SMN2 (0.46) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1166956 0.90 SMN1; SMN2 (0.46) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1167193 0.89 CACNA1G (0.43) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1167191 0.89 CACNA1G (0.43) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1167251 0.89 CACNA1G (0.43) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1166366 0.88 SMN1; SMN2 (0.43) ALDH1A1MAPTLMNAMMP1MMP2
SCHEMBL1166892 0.88 MEN1 (0.48) ALDH1A1MAPTLMNAKDM4EMEN1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2242743-B1 AMINOPYRAZOLE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2013-08-21 EP claimed
US-8288419-B2 Aminopyrazole derivatives ACTELION PHARMACEUTICALS, LTD (CH) 2012-10-16 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
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 ALDH1A1 96/4885MAPT 2198/4885LMNA 4005/4885

“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.