SCHEMBL1166366

SCHEMBL1166366

CC(F)(F)c1ccc(Cn2ccc(NC(=O)C=Cc3cccc(Cl)c3)n2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
CYP1A2 P05177 4/20 0.42
CYP2C19 P33261 4/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2D6 P10635 1/20 0.42
HPGD P15428 7/20 0.42
ALDH1A1 P00352 4/20 0.42
MAPT P10636 3/20 0.42
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1C Q13936 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL1166365 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL1167193 0.90 CACNA1G (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL1167191 0.90 CACNA1G (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL1167251 0.90 CACNA1G (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL1166890 0.90 MEN1 (0.48) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL1166954 0.90 MEN1 (0.48) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL1166892 0.90 MEN1 (0.48) LMNAMEN1KMT2AHPGDALDH1A1
SCHEMBL1166201 0.88 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL1167397 0.88 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1
SCHEMBL1166202 0.88 ALDH1A1 (0.43) SMN1; SMN2NPC1RAB9ALMNAMEN1

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 SMN1; SMN2 4612/4885NPC1 3124/4885RAB9A 1767/4885

“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.