SCHEMBL2303063

SCHEMBL2303063

CC(C)(C)c1cccc(NC(=O)c2ccc(Br)c(F)c2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 2/20 0.67
HDAC6 Q9UBN7 2/20 0.67
HDAC3 O15379 1/20 0.67
KCNK9 Q9NPC2 1/20 0.56
KCNK3 O14649 1/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
TP53 P04637 2/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MAOB P27338 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
NR1H4 Q96RI1 3/20 0.49
RAB9A P51151 2/20 0.49
THRB P10828 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
NFKB1 P19838 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
SCHEMBL2303650 0.85 HDAC8 (0.67) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL25669613 0.82 HDAC8 (0.81) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL21652165 0.82 HDAC8 (0.76) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL24669338 0.80 MAOB (0.70) MAPTSMN1; SMN2TP53MAOBMEN1
SCHEMBL29803408 0.80 MAOB (0.70) MAPTSMN1; SMN2TP53MAOBMEN1
SCHEMBL9978818 0.80 HDAC6 (0.77) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL15603559 0.80 HDAC8 (0.76) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL20073524 0.79 MAPT (0.81) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL15603515 0.79 MAPT (0.81) HDAC8HDAC6HDAC3KCNK9KCNK3
SCHEMBL16137326 0.79 HDAC8 (0.70) HDAC8HDAC6HDAC3KCNK9KCNK3

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.