SCHEMBL2363366

SCHEMBL2363366

CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)Nc3nc4c(s3)CCc3ccccc3-4)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.52
POLB P06746 1/20 0.49
LMNA P02545 4/20 0.49
KDM4E B2RXH2 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MAPT P10636 6/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
USP2 O75604 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
HDAC1 Q13547 1/20 0.46
TP53 P04637 2/20 0.46
ADORA3 P0DMS8 2/20 0.46
XIAP P98170 1/20 0.46

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
SCHEMBL3310614 0.83 MAPT (0.55) TBK1POLBLMNAKDM4ESMN1; SMN2
SCHEMBL3310716 0.82 CKS1B (0.57) TBK1POLBLMNAKDM4EALDH1A1
SCHEMBL2303022 0.81 KDM4E (0.51) POLBLMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2357113 0.80 CKS1B (0.57) TBK1ALDH1A1HPGDMAPTHSD17B10
SCHEMBL2357114 0.79 TBK1 (0.56) TBK1POLBLMNAKDM4ESMN1; SMN2
SCHEMBL2355302 0.78 MAPT (0.55) TBK1LMNAKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2304013 0.77 TBK1 (0.55) TBK1KDM4ESMN1; SMN2ALDH1A1HPGD
SCHEMBL3310971 0.77 ADORA3 (0.56) TBK1POLBLMNAKDM4ESMN1; SMN2
SCHEMBL2304234 0.77 TBK1 (0.56) TBK1POLBLMNASMN1; SMN2NPC1
SCHEMBL3309812 0.77 TBK1 (0.52) TBK1POLBLMNAKDM4EALDH1A1

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 TBK1 3789/4885POLB 3823/4885LMNA 4698/4885

“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.