SCHEMBL453682

SCHEMBL453682

COc1ncnc2c(C3CC3)c(Cl)sc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 11/20 0.50
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM4 P08173 1/20 0.32
APLNR P35414 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL441163 0.80 NOTUM (0.59) NOTUMCHRM4
SCHEMBL31618430 0.73 PDPK1 (0.38) ALDH1A1MEN1KMT2AAPLNRMAPT
SCHEMBL31618452 0.73 APLNR (0.35) ALDH1A1MEN1KMT2AAPLNRMAPT
SCHEMBL16333308 0.72 NOTUM (0.76) NOTUMALDH1A1MEN1KMT2A
SCHEMBL438091 0.70 GPR35 (0.37) ALDH1A1MEN1KMT2ACHRM4MAPT
SCHEMBL438088 0.68 NOTUM (0.56) NOTUMCHRM4
SCHEMBL31618229 0.67 PDPK1 (0.34) ALDH1A1MEN1KMT2AAPLNR
SCHEMBL439279 0.67 NOTUM (1.00) NOTUM
SCHEMBL22651223 0.63 HSD17B10 (0.37) NOTUMALDH1A1MEN1KMT2AMAPT
SCHEMBL24473255 0.62 LIMK1 (0.59) ALDH1A1MAPT

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
EP-2616471-B1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS INC (US) 2014-12-31 EP disclosed
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE BARBOSA JOSEPH (US) 2014-09-25 US disclosed
EP-2616471-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE Lexicon Pharmaceuticals, Inc. (US) 2013-07-24 EP disclosed
WO-2012037141-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. (US) 2012-03-22 WO disclosed
US-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE LEXICON PHARMACEUTICALS, INC. 2012-03-15 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 (2 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-20120065200-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885ALDH1A1 1305/4885MEN1 2728/4885
US-20140288071-A1 INHIBITORS OF NOTUM PECTINACETYLESTERASE AND METHODS OF THEIR USE NOTUM, GLA, CES1 NOTUM 1/4885ALDH1A1 1305/4885MEN1 2728/4885

“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.