SCHEMBL3308450

SCHEMBL3308450

Cc1sc(C(N)=O)nc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.57
RARA P10276 2/20 0.54
RARB P10826 2/20 0.54
RARG P13631 2/20 0.54
ALOX5 P09917 1/20 0.52
XIAP P98170 1/20 0.52
ALDH1A1 P00352 6/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ROCK2 O75116 1/20 0.50
GSTO1 P78417 1/20 0.50
HSD17B10 Q99714 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK1 P28482 1/20 0.48
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
RAB9A P51151 2/20 0.47
LMNA P02545 2/20 0.47

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
SCHEMBL3310365 0.87 SCN9A (0.51) SCN9ARARARARBRARGALDH1A1
SCHEMBL9830851 0.86 RARA (0.60) RARARARBRARGALOX5XIAP
SCHEMBL15401158 0.84 RARA (0.49) SCN9ARARARARBRARGALOX5
SCHEMBL3308684 0.84 ALDH1A1 (0.55) SCN9ARARARARBRARGALDH1A1
SCHEMBL3313394 0.82 SCN9A (0.57) SCN9ASMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL3311820 0.81 ALDH1A1 (0.59) SCN9AALDH1A1SMN1; SMN2KDM4EROCK2
SCHEMBL12127937 0.81 ALDH1A1 (0.56) XIAPALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL18136488 0.81 RARA (0.51) RARARARBRARGALOX5XIAP
SCHEMBL18136486 0.81 ALOX5 (0.61) RARARARBRARGALOX5XIAP
SCHEMBL27757739 0.80 CDC7 (0.55) ALDH1A1SMN1; SMN2KDM4EHSD17B10CYP1A2

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-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP claimed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US claimed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US claimed
EP-2350311-B1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS MADRIGAL PHARMACEUTICALS INC (US) 2013-12-25 EP disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 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-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, MOGAT2 SCN9A 2008/4885RARA 3810/4885RARB 3943/4885

“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.