SCHEMBL9112586

SCHEMBL9112586

COc1ccc(Cn2ncc3cc(NC(=O)O)ccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.49
RAF1 P04049 1/20 0.48
CACNA1H O95180 1/20 0.48
ERBB2 P04626 4/20 0.47
EGFR P00533 3/20 0.47
ERBB4 Q15303 1/20 0.47
MCHR2 Q969V1 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL9910663 0.86 CACNA1H (0.46) MCHR1RAF1CACNA1HERBB2EGFR
SCHEMBL29447563 0.86 CACNA1H (0.46) MCHR1RAF1CACNA1HERBB2EGFR
SCHEMBL7981157 0.82 PLA2G4A (0.54) CACNA1H
SCHEMBL1418153 0.81 HDAC6 (0.51) CACNA1HMAOAMAOB
SCHEMBL7977924 0.80 HDAC6 (0.55) CACNA1HMAOAMAOB
SCHEMBL24996628 0.79 NPBWR1 (0.47) MCHR1CACNA1H
SCHEMBL30879430 0.79 NPBWR1 (0.47) MCHR1CACNA1H
SCHEMBL31086654 0.79 HDAC8 (0.48) CACNA1H
SCHEMBL28429755 0.79 NPBWR1 (0.45) MCHR1CACNA1H
SCHEMBL20423953 0.79 RECQL (0.54) RAF1ERBB2EGFRERBB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
US-8552022-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2013-10-08 US disclosed
EP-2464228-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT Merck Sharp & Dohme Corp. (US) 2012-06-20 EP disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 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-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR MCHR1 567/4885RAF1 3118/4885CACNA1H 1521/4885

“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.