SCHEMBL3638019

SCHEMBL3638019

Nc1ccc(-c2ccc(C(=O)NC3CC3)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 4/20 0.54
MEN1 O00255 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
FYN P06241 2/20 0.52
TTK P33981 1/20 0.52
SMYD3 Q9H7B4 4/20 0.51
HPGDS O60760 1/20 0.51
USP30 Q70CQ3 1/20 0.49
BMPR1B O00238 1/20 0.48
BMPR1A P36894 1/20 0.48
TGFBR1 P36897 1/20 0.48
ACVRL1 P37023 1/20 0.48
ACVR1 Q04771 1/20 0.48
CYP46A1 Q9Y6A2 1/20 0.48
USP7 Q93009 1/20 0.47
MAPK14 Q16539 2/20 0.46
RIPK1 Q13546 1/20 0.45

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
SCHEMBL3634670 0.95 NPC1 (0.50) ATRMEN1NPC1RAB9AKMT2A
SCHEMBL15070386 0.83 NPC1 (0.56) ATRMEN1NPC1RAB9AKMT2A
SCHEMBL3633642 0.82 RAB9A (0.72) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL30583805 0.80 RAB9A (0.62) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3442327 0.80 RAB9A (0.62) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3637992 0.80 MAPK14 (0.48) SMYD3MAPK14
SCHEMBL21480919 0.78 USP30 (0.47) NPC1RAB9ASMN1; SMN2HPGDSUSP30
SCHEMBL8949100 0.78 MEN1 (0.48) ATRMEN1NPC1RAB9AKMT2A
SCHEMBL14082199 0.77 MEN1 (0.65) ATRMEN1NPC1RAB9AKMT2A
SCHEMBL1664232 0.77 SMYD3 (0.59) MEN1NPC1RAB9AKMT2ASMN1; SMN2

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-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP claimed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US claimed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO claimed
EP-2155687-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS Via Pharmaceuticals, Inc. (US) 2010-02-24 EP disclosed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 US disclosed
WO-2008141976-A1 DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS VIA PHARMACEUTICALS, INC. (US) 2008-11-27 WO 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ATR 4242/4885MEN1 3549/4885NPC1 638/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ATR 4242/4885MEN1 3549/4885NPC1 638/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ATR 4242/4885MEN1 3549/4885NPC1 638/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT ATR 4242/4885MEN1 3549/4885NPC1 638/4885

“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.