SCHEMBL2303182

SCHEMBL2303182

O=C(O)c1ccc(N2CCN(c3ccc(C(=O)Nc4ccc5c(c4)CCCC5)cc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.68
RAB9A P51151 11/20 0.61
NPC1 O15118 10/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
NFKB1 P19838 4/20 0.61
NFKB2 Q00653 4/20 0.61
RELA Q04206 4/20 0.61
TP53 P04637 4/20 0.61
HTT P42858 2/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 4/20 0.59
ALDH1A1 P00352 1/20 0.59
KMT2A Q03164 4/20 0.57
KDM4E B2RXH2 3/20 0.57
MEN1 O00255 2/20 0.54
PKM P14618 1/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
MCL1 Q07820 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL2302433 0.97 SLC2A1 (0.71) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL8460943 0.89 RAB9A (0.75) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL18553739 0.86 SLC2A1 (0.61) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL2306252 0.86 SLC2A1 (0.63) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL20376653 0.85 SLC2A1 (0.65) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL3311207 0.84 SLC2A1 (0.64) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL3314789 0.79 NPC1 (0.63) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL28255250 0.75 KMT2A (0.66) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1
SCHEMBL7430798 0.75 PLAU (0.76) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL20078361 0.75 RAB9A (0.83) SLC2A1RAB9ANPC1SMN1; SMN2NFKB1

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 11 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 claimed
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 SLC2A1 309/4885RAB9A 2586/4885NPC1 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.