SCHEMBL2301778

SCHEMBL2301778

CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)cc2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.63
HDAC6 Q9UBN7 2/20 0.63
HDAC3 O15379 1/20 0.63
MAPT P10636 3/20 0.59
TP53 P04637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
USP2 O75604 1/20 0.59
MAPK1 P28482 1/20 0.59
KCNK9 Q9NPC2 1/20 0.59
LMNA P02545 1/20 0.58
BTK Q06187 2/20 0.52
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NR1H4 Q96RI1 5/20 0.52
KCNK3 O14649 1/20 0.51
RAF1 P04049 1/20 0.50
CHRNA7 P36544 1/20 0.50
CHRNA10 Q9GZZ6 1/20 0.50
CHRNA9 Q9UGM1 1/20 0.50
PPARG P37231 2/20 0.49

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
SCHEMBL13328378 0.93 HDAC8 (0.58) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2301576 0.90 CHRM1 (0.52) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2303551 0.90 HDAC8 (0.54) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2358123 0.89 TP53 (0.52) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL8458778 0.89 HDAC8 (0.78) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2304771 0.89 TP53 (0.53) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2305203 0.89 RAF1 (0.52) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL3311610 0.89 HDAC3 (0.53) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2303896 0.87 HDAC3 (0.48) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2303373 0.87 HDAC8 (0.62) HDAC8HDAC6HDAC3MAPTTP53

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 15 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
EP-2350311-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2011-08-03 EP 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
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 HDAC8 4317/4885HDAC6 2513/4885HDAC3 1354/4885

“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.