SCHEMBL2302037

SCHEMBL2302037

COc1cc(NC(=O)c2ccc(Cl)nc2)cc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 10/20 0.67
KCNQ2 O43526 10/20 0.67
SMN1; SMN2 Q16637 6/20 0.64
MEN1 O00255 6/20 0.64
KMT2A Q03164 6/20 0.64
RAB9A P51151 5/20 0.64
ALDH1A1 P00352 3/20 0.64
NPC1 O15118 2/20 0.64
CYP1A2 P05177 2/20 0.64
CYP2D6 P10635 2/20 0.64
CYP2C9 P11712 2/20 0.64
CYP2C19 P33261 2/20 0.64
TP53 P04637 1/20 0.64
CYP3A4 P08684 1/20 0.64
GAA P10253 1/20 0.64
HTT P42858 3/20 0.59
MAPK1 P28482 2/20 0.59
NR2F2 P24468 1/20 0.59
KCNE1 P15382 6/20 0.57
KCNQ1 P51787 6/20 0.57

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
SCHEMBL18131725 0.89 KCNQ3 (0.79) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL2303815 0.88 KCNQ3 (0.77) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL2302302 0.87 RAB9A (0.72) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL3788719 0.82 SMN1; SMN2 (0.64) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL5215207 0.82 KCNQ3 (0.81) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL31680508 0.82 NPC1 (0.93) SMN1; SMN2MEN1KMT2ARAB9AALDH1A1
SCHEMBL2304880 0.81 KCNQ3 (0.68) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL2302748 0.80 RAB9A (0.74) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL13210712 0.80 NPC1 (0.64) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A
SCHEMBL14516647 0.79 RAB9A (0.72) KCNQ3KCNQ2SMN1; SMN2MEN1KMT2A

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 11 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
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 CN 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 KCNQ3 410/4885KCNQ2 300/4885SMN1; SMN2 4749/4885

“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.