SCHEMBL2302748

SCHEMBL2302748

COC(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.74
SMN1; SMN2 Q16637 2/20 0.74
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
ALDH1A1 P00352 1/20 0.65
LMNA P02545 1/20 0.65
KCNQ3 O43525 7/20 0.60
KCNQ2 O43526 7/20 0.60
KCNE1 P15382 3/20 0.60
KCNQ1 P51787 3/20 0.60
BACE1 P56817 1/20 0.58
MAPT P10636 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 1/20 0.57
ATM Q13315 1/20 0.57
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55

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
SCHEMBL13210531 0.88 RAB9A (0.67) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2302302 0.87 RAB9A (0.72) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2306020 0.85 MEN1 (0.66) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8361559 0.85 RAB9A (1.00) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL1986996 0.84 KCNQ3 (0.82) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5215207 0.84 KCNQ3 (0.81) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL64640 0.84 MAPK1 (0.65) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29552438 0.84 MAPK1 (0.65) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3313800 0.83 RAB9A (0.75) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL20241211 0.82 MAPK1 (0.62) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1

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 10 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 disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
US-8324385-B2 Diacylglycerol acyltransferase inhibitors MADRIGAL PHARMACEUTICALS, INC. (US) 2012-12-04 US disclosed
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP disclosed
WO-2010056506-A1 DIACYLGLYCEROL ACLYTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2010-05-20 WO 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
US-20100113782-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2010-05-06 US 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 RAB9A 2586/4885SMN1; SMN2 4749/4885MEN1 3985/4885

“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.