SCHEMBL1167010

SCHEMBL1167010

Cc1ccccc1COC(=O)Nc1cnn(CCCCC(C)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.46
MAPT P10636 3/20 0.46
HPGD P15428 6/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 5/20 0.42
USP2 O75604 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
HSD17B10 Q99714 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C19 P33261 2/20 0.40
TSHR P16473 1/20 0.40
FPR2 P25090 1/20 0.39
SCD5 Q86SK9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39

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
SCHEMBL1167249 0.91 KMT2A (0.39) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL1166627 0.90 KMT2A (0.44) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL1167266 0.89 MEN1 (0.43) ALDH1A1MAPTHPGDSMN1; SMN2RAB9A
SCHEMBL1167075 0.89 ALDH1A1 (0.38) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL1166114 0.87 POLB (0.46) ALDH1A1SMN1; SMN2RAB9ANPC1POLB
SCHEMBL1166218 0.83 HDAC3 (0.40) ALDH1A1MAPTSMN1; SMN2POLBMEN1
SCHEMBL1166160 0.83 MEN1 (0.45) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL1165835 0.82 CACNA1G (0.44) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL1167097 0.81 POLB (0.40) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E
SCHEMBL1166317 0.81 POLB (0.41) ALDH1A1MAPTHPGDSMN1; SMN2KDM4E

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 8 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
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 96/4885MAPT 2198/4885HPGD 735/4885

“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.