SCHEMBL2300464

SCHEMBL2300464

COc1ccc(NC(=O)c2ccc(N3CCN(c4ccc(C(=O)O)cc4)CC3)nc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.64
NPC1 O15118 2/20 0.64
KMT2A Q03164 10/20 0.63
MAPT P10636 6/20 0.63
ALDH1A1 P00352 4/20 0.63
NR4A1 P22736 1/20 0.63
MCL1 Q07820 1/20 0.63
P4HTM Q9NXG6 1/20 0.60
L3MBTL1 Q9Y468 2/20 0.58
MEN1 O00255 6/20 0.57
HSD17B10 Q99714 3/20 0.55
MCHR1 Q99705 2/20 0.54
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
HDAC2 Q92769 1/20 0.52
ALOX15 P16050 1/20 0.51

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
SCHEMBL2301016 0.91 RAB9A (0.55) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL13328371 0.90 RAB9A (0.66) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL22495207 0.89 RAB9A (0.67) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL2302759 0.88 KDM4E (0.61) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL26017613 0.87 RAB9A (0.67) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL2306037 0.87 RAB9A (0.60) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL2305342 0.87 RAB9A (0.59) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL31254429 0.86 RAB9A (0.65) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL22495360 0.86 RAB9A (0.65) RAB9ANPC1KMT2AMAPTALDH1A1
SCHEMBL2301527 0.85 MAPT (0.62) RAB9ANPC1KMT2AMAPTALDH1A1

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 RAB9A 2586/4885NPC1 432/4885KMT2A 963/4885

“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.