SCHEMBL1166403

SCHEMBL1166403

CCc1ccccc1COC(=O)Nc1cnn(CCCCC(C)=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.44
HDAC3 O15379 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
NCOR2 Q9Y618 2/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 1/20 0.39
JAK2 O60674 7/20 0.39
HDAC6 Q9UBN7 7/20 0.39
HDAC1 Q13547 5/20 0.39
JAK1 P23458 3/20 0.39
TYK2 P29597 3/20 0.39
JAK3 P52333 3/20 0.39
HDAC10 Q969S8 3/20 0.39
NAMPT P43490 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38

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
SCHEMBL1167231 0.90 JAK2 (0.47) FPR2HDAC3HDAC8NCOR2KMT2A
SCHEMBL1166384 0.90 KMT2A (0.48) FPR2HDAC3HDAC8NCOR2KMT2A
SCHEMBL1165816 0.88 FPR2 (0.43) FPR2HDAC3HDAC8NCOR2KMT2A
SCHEMBL1167363 0.87 HDAC3 (0.43) FPR2HDAC3HDAC8NCOR2KMT2A
SCHEMBL1167118 0.86 KMT2A (0.44) FPR2HDAC3HDAC8NCOR2KMT2A
SCHEMBL1165909 0.85 FPR2 (0.42) FPR2HDAC3HDAC8NCOR2KMT2A
SCHEMBL1167249 0.85 KMT2A (0.39) HDAC3HDAC8NCOR2KMT2AALDH1A1
SCHEMBL1167260 0.84 KDM4E (0.41) HDAC3HDAC8KMT2AALDH1A1SMN1; SMN2
SCHEMBL1166361 0.82 KMT2A (0.41) FPR2HDAC3HDAC8NCOR2KMT2A
SCHEMBL1167240 0.82 MEN1 (0.47) HDAC3HDAC8NCOR2KMT2AALDH1A1

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 FPR2 1074/4885HDAC3 1388/4885HDAC8 2128/4885

“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.