SCHEMBL2301495

SCHEMBL2301495

Cc1sc(NC(=O)c2ccc(Cl)nc2)nc1-c1ccc(F)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.62
PKM P14618 2/20 0.62
RAB9A P51151 6/20 0.57
NPC1 O15118 4/20 0.57
KMT2A Q03164 4/20 0.57
POLB P06746 2/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 4/20 0.55
NPSR1 Q6W5P4 4/20 0.55
RXFP1 Q9HBX9 4/20 0.55
HTT P42858 2/20 0.55
LMNA P02545 1/20 0.54
PLTP P55058 1/20 0.54
KCNQ3 O43525 1/20 0.52
KCNQ2 O43526 1/20 0.52
KCNE1 P15382 1/20 0.52
KCNQ1 P51787 1/20 0.52
BACE1 P56817 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 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
SCHEMBL2300697 0.91 RAB9A (0.60) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL2303467 0.91 RAB9A (0.59) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL2302150 0.89 ALDH1A1 (0.68) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL2303062 0.87 MAPT (0.55) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL22331521 0.84 ADORA3 (0.51) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL2305088 0.83 RAB9A (0.55) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL205687 0.81 KMT2A (0.67) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL3312659 0.78 ALDH1A1 (0.54) ALDH1A1PKMNPC1KMT2APOLB
SCHEMBL9893016 0.77 ALDH1A1 (0.75) ALDH1A1PKMRAB9ANPC1KMT2A
SCHEMBL2358816 0.75 ADORA3 (0.50) ALDH1A1RAB9APOLBKDM4ENPSR1

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 9 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
CN-102203280-A Diacylglycerol acyltransferase inhibitors VIA PHARMACEUTICALS INC 2011-09-28 CN 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

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 ALDH1A1 802/4885PKM 3680/4885RAB9A 2586/4885

“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.