SCHEMBL20043820

SCHEMBL20043820

O=C(c1c(Cl)ncnc1Cl)C(CCO)c1ccc2c(ccn2-c2ccccc2OCc2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.34
ROCK1 Q13464 2/20 0.34
DGAT1 O75907 7/20 0.33
PTGER1 P34995 4/20 0.33
DHODH Q02127 1/20 0.33
SRD5A2 P31213 1/20 0.32
CFD P00746 1/20 0.32
TPSB2 P20231 1/20 0.32
EGFR P00533 1/20 0.32
ERBB2 P04626 1/20 0.32
PPIA P62937 1/20 0.31

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
SCHEMBL15733008 0.79 DGAT1 (0.49) RHEBROCK1DGAT1PTGER1DHODH
SCHEMBL17250101 0.70 DGAT1 (0.60) DGAT1
SCHEMBL15732994 0.70 DGAT1 (0.68) RHEBROCK1DGAT1PTGER1SRD5A2
SCHEMBL15733000 0.68 ROCK1 (0.44) ROCK1PTGER1
SCHEMBL15733044 0.66 DGAT1 (0.71) DGAT1
SCHEMBL15742640 0.65 RHEB (0.34) RHEBROCK1DGAT1
SCHEMBL15745369 0.63 KCNH2 (0.40) ROCK1DGAT1SRD5A2ERBB2
SCHEMBL31116667 0.62 ROCK1 (0.61) ROCK1SRD5A2
SCHEMBL14136848 0.61 DGAT1 (0.59) ROCK1DGAT1DHODH
SCHEMBL31460315 0.58 ROCK1 (0.58) ROCK1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10174049-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE LLC (US) 2019-01-08 US disclosed
US-20180099979-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2018-04-12 US disclosed
US-20180099979-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE LLC 2018-04-12 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-20180099979-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, DLAT RHEB 2145/4885ROCK1 1566/4885DGAT1 1/4885
US-10174049-B2 Compounds as diacylglycerol acyltransferase inhibitors DGAT1, DGAT2, LCAT RHEB 2261/4885ROCK1 1221/4885DGAT1 1/4885

“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.