SCHEMBL1166583

SCHEMBL1166583

CC(=O)c1ccc(Cn2cc(NC(=O)OCc3ccccc3)cn2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.51
▸ HCRTR2 O43614 1/20 0.51
▸ POLB P06746 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ NCOR2 Q9Y618 1/20 0.46
▸ SCD O00767 9/20 0.46
▸ SCD5 Q86SK9 8/20 0.46
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ MEN1 O00255 1/20 0.43
▸ TP53 P04637 1/20 0.43

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
SCHEMBL1166800 0.91 MEN1 (0.49) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1167856 0.91 ALDH1A1 (0.50) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1166344 0.91 LMNA (0.51) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1166153 0.89 HCRTR1 (0.61) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1165815 0.89 HCRTR1 (0.51) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1166727 0.89 HCRTR1 (0.51) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1165989 0.89 HCRTR1 (0.51) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1166519 0.89 HCRTR1 (0.51) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1166184 0.88 SMN1; SMN2 (0.48) HCRTR1HCRTR2POLBKDM4ECYP1A2
SCHEMBL1166419 0.88 HCRTR1 (0.48) HCRTR1HCRTR2POLBKDM4ECYP1A2

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 HCRTR1 2862/4885HCRTR2 2700/4885POLB 2932/4885

“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.

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