SCHEMBL2357597

SCHEMBL2357597

Cc1ccc(NC(=O)c2ccc(N3CCN(C(=O)NC(C)(C)C)CC3)nc2)cc1I

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
POLB P06746 1/20 0.49
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
P2RY12 Q9H244 1/20 0.45
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
PANK3 Q9H999 2/20 0.43
FASN P49327 1/20 0.43
KCNQ3 O43525 1/20 0.42
KCNQ2 O43526 1/20 0.42
MAPK1 P28482 1/20 0.42
BRAF P15056 1/20 0.42
RET P07949 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
KIT P10721 1/20 0.42
STAT3 P40763 1/20 0.41

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
SCHEMBL3310147 0.87 P2RY12 (0.49) KDM4ERAB9AL3MBTL1SMN1; SMN2P2RY12
SCHEMBL2300887 0.86 RAB9A (0.47) KDM4ERAB9AL3MBTL1SMN1; SMN2P2RY12
SCHEMBL2300969 0.86 TBK1 (0.52) RAB9AL3MBTL1SMN1; SMN2MAPTCYP1A2
SCHEMBL13363955 0.85 KCNQ3 (0.57) RAB9AL3MBTL1SMN1; SMN2MAPTCYP1A2
SCHEMBL2305153 0.85 RAB9A (0.49) KDM4ERAB9AL3MBTL1SMN1; SMN2MAPT
SCHEMBL3308028 0.84 P2RY12 (0.51) KDM4EPOLBRAB9AL3MBTL1SMN1; SMN2
SCHEMBL3311413 0.84 USP30 (0.53) KDM4EPOLBRAB9AL3MBTL1SMN1; SMN2
SCHEMBL2357220 0.84 RAB9A (0.45) KDM4ERAB9AL3MBTL1SMN1; SMN2P2RY12
SCHEMBL2303041 0.84 P2RY12 (0.47) KDM4EPOLBRAB9AL3MBTL1SMN1; SMN2
SCHEMBL2300742 0.82 KCNH2 (0.54) RAB9AL3MBTL1MAPTCYP1A2CYP2C19

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 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

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 KDM4E 3683/4885POLB 3823/4885RAB9A 2586/4885

“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.