SCHEMBL2301405

SCHEMBL2301405

CC(C)(C)c1cccc(NC(=O)c2ccc(Br)cc2F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
GAA P10253 1/20 0.56
RAB9A P51151 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
P2RX1 P51575 3/20 0.54
GPR27 Q9NS67 1/20 0.53
MEN1 O00255 1/20 0.50
OPRK1 P41145 1/20 0.50
HTT P42858 1/20 0.50
SORT1 Q99523 1/20 0.50
RXFP1 Q9HBX9 5/20 0.49
GRIK1 P39086 1/20 0.48
STAT3 P40763 1/20 0.48

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
SCHEMBL3312194 0.91 KMT2A (0.48) KMT2ASMN1; SMN2HDAC3HDAC8HDAC6
SCHEMBL2300704 0.86 HDAC8 (0.61) KMT2ASMN1; SMN2HDAC3HDAC8HDAC6
SCHEMBL25669613 0.80 HDAC8 (0.81) KMT2ASMN1; SMN2HDAC3HDAC8HDAC6
SCHEMBL3846752 0.80 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL3383409 0.79 KCNJ6 (0.60) KMT2ASMN1; SMN2HDAC3HDAC8HDAC6
SCHEMBL3850292 0.79 GPR27 (0.61) KMT2ASMN1; SMN2NPC1ALDH1A1LMNA
SCHEMBL25231718 0.78 MEN1 (0.67) KMT2ASMN1; SMN2P2RX1MEN1OPRK1
SCHEMBL29537581 0.78 MEN1 (0.67) KMT2ASMN1; SMN2P2RX1MEN1OPRK1
SCHEMBL2303063 0.77 HDAC8 (0.67) KMT2ASMN1; SMN2HDAC3HDAC8HDAC6
SCHEMBL26075815 0.77 P2RX1 (0.59) SMN1; SMN2HDAC3HDAC8HDAC6P2RX1

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 KMT2A 963/4885SMN1; SMN2 4749/4885HDAC3 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.