SCHEMBL2303373

SCHEMBL2303373

CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCNCC3)cc2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.62
HDAC6 Q9UBN7 2/20 0.62
HDAC3 O15379 1/20 0.62
MAPT P10636 4/20 0.57
LMNA P02545 2/20 0.57
TP53 P04637 2/20 0.55
USP2 O75604 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KCNK9 Q9NPC2 1/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
SIRT3 Q9NTG7 1/20 0.51
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
KCNK3 O14649 1/20 0.50
RAF1 P04049 1/20 0.49
CHRNA7 P36544 1/20 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
SCHEMBL2301778 0.87 HDAC8 (0.63) HDAC8HDAC6HDAC3MAPTLMNA
SCHEMBL2303645 0.87 TP53 (0.50) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2305211 0.84 MEN1 (0.60) HDAC8HDAC6HDAC3MAPTLMNA
SCHEMBL2301595 0.84 TRPV4 (0.48) HDAC8HDAC6HDAC3MAPTLMNA
SCHEMBL2302882 0.84 KCNH2 (0.53) HDAC8HDAC6HDAC3MAPTKCNK9
SCHEMBL2305955 0.84 MAPT (0.61) HDAC8HDAC6HDAC3MAPTTP53
SCHEMBL2306204 0.83 HDAC8 (0.58) HDAC8HDAC6HDAC3MAPTLMNA
SCHEMBL13328378 0.83 HDAC8 (0.58) HDAC8HDAC6HDAC3MAPTLMNA
SCHEMBL5184547 0.82 KMT2A (0.55) MAPTLMNATP53USP2MAPK1
SCHEMBL1535788 0.82 MAPT (0.60) HDAC6MAPTLMNATP53USP2

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 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.