SCHEMBL3634634

SCHEMBL3634634

CC(C)CNC(=O)c1ccc(-c2ccc(N)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 1/20 0.58
KDM4E B2RXH2 2/20 0.57
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
GAA P10253 1/20 0.56
KMT2A Q03164 1/20 0.56
HSD17B10 Q99714 1/20 0.56
MAPT P10636 1/20 0.53
HIF1A Q16665 1/20 0.53
SLC22A6 Q4U2R8 1/20 0.53
SLC22A8 Q8TCC7 1/20 0.53
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HDAC4 P56524 1/20 0.51
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
MAPK14 Q16539 1/20 0.49
LMNA P02545 3/20 0.49

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
SCHEMBL5940582 0.95 MLYCD (0.63) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL17865783 0.86 MLYCD (0.73) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL3036729 0.85 MLYCD (0.59) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL18082335 0.85 NPC1 (0.71) MLYCDHPGDNPSR1GAAKMT2A
SCHEMBL595833 0.83 HPGD (0.50) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL17011381 0.83 KDM4E (0.56) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL23106431 0.81 KDM4E (0.54) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL104285 0.81 HPGD (0.63) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL5940560 0.80 KDM4E (0.53) MLYCDKDM4EHPGDNPSR1GAA
SCHEMBL162726 0.79 MLYCD (0.65) MLYCDKDM4EHPGDNPSR1GAA

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 6 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 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 MLYCD 283/4885KDM4E 2823/4885HPGD 838/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MLYCD 283/4885KDM4E 2823/4885HPGD 838/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MLYCD 283/4885KDM4E 2823/4885HPGD 838/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT MLYCD 283/4885KDM4E 2823/4885HPGD 838/4885

“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.