SCHEMBL2365489

SCHEMBL2365489

O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccc(I)cc4F)cn3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC2 Q92769 6/20 0.46
HDAC3 O15379 5/20 0.46
KCNQ3 O43525 2/20 0.45
KCNQ2 O43526 2/20 0.45
HDAC8 Q9BY41 1/20 0.44
HDAC1 Q13547 3/20 0.44
KCNH2 Q12809 1/20 0.43
P4HTM Q9NXG6 1/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL2356592 0.87 MAPT (0.54) KDM4EALDH1A1RAB9AHDAC3HDAC8
SCHEMBL2305048 0.83 KCNQ3 (0.47) NPC1RAB9AKMT2AHDAC2HDAC3
SCHEMBL13328375 0.79 MAPT (0.57) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL2305342 0.78 RAB9A (0.59) KDM4EALDH1A1NPC1RAB9AKMT2A
SCHEMBL2357584 0.77 P4HTM (0.55) KDM4ENPC1RAB9AKMT2AHDAC2
SCHEMBL2301584 0.77 MAPT (0.50) NPC1RAB9AKMT2AHDAC2HDAC3
SCHEMBL2356882 0.77 RAB9A (0.50) NPC1RAB9AKMT2AHDAC2HDAC3
SCHEMBL2300993 0.77 MAPT (0.50) ALDH1A1NPC1RAB9AKMT2AKCNQ3
SCHEMBL2302873 0.76 USP30 (0.56) KMT2AKCNH2MAPT
SCHEMBL2357604 0.75 RAB9A (0.56) NPC1RAB9AKMT2AKCNQ3KCNQ2

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 KDM4E 3683/4885ALDH1A1 802/4885NPC1 432/4885

“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.