SCHEMBL2300848

SCHEMBL2300848

CC(C)(C)c1cccc(NC(=O)c2ccc(N3CCN(c4ccc(C(=O)OCc5ccccc5)cc4)CC3)nc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.50
KMT2A Q03164 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
P2RY12 Q9H244 1/20 0.48
RAF1 P04049 2/20 0.48
BRAF P15056 1/20 0.48
MAPT P10636 4/20 0.47
USP2 O75604 1/20 0.47
MAPK1 P28482 1/20 0.47
ESR2 Q92731 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
HDAC2 Q92769 2/20 0.46
HDAC3 O15379 1/20 0.46
CYP2C9 P11712 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPKAPK3 Q16644 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL2304887 0.90 P2RY12 (0.55) KMT2AMEN1NPC1RAB9AP2RY12
SCHEMBL2302452 0.86 RAF1 (0.49) HDAC1KMT2AMEN1NPC1RAB9A
SCHEMBL2305203 0.86 RAF1 (0.52) KMT2ANPC1RAB9ARAF1BRAF
SCHEMBL2356433 0.85 NR1H4 (0.54) KMT2ANPC1RAB9ARAF1MAPT
SCHEMBL3311610 0.84 HDAC3 (0.53) KMT2ANPC1RAB9ARAF1MAPT
SCHEMBL2305081 0.84 NR1H4 (0.50) HDAC1KMT2ANPC1RAB9ARAF1
SCHEMBL2304721 0.82 HDAC3 (0.54) RAB9ARAF1BRAFMAPTHDAC2
SCHEMBL2305078 0.81 NR1H4 (0.49) KMT2ANPC1RAB9ARAF1BRAF
SCHEMBL3307781 0.81 RAF1 (0.49) KMT2ANPC1RAB9ARAF1BRAF
SCHEMBL2303253 0.80 HDAC1 (0.47) HDAC1KMT2AMEN1NPC1RAB9A

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 HDAC1 1675/4885KMT2A 963/4885MEN1 3985/4885

“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.