SCHEMBL16167708

SCHEMBL16167708

CCCNc1ccc2c(ccn2-c2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.44
PLA2G4A P47712 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
APP P05067 2/20 0.40
KCNH2 Q12809 2/20 0.40
EPHX2 P34913 1/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36

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
SCHEMBL2364027 0.91 DHODH (0.42) DHODHPLA2G4AHDAC3HDAC4HDAC1
SCHEMBL15745367 0.81 PIM1 (0.48) KCNH2SMN1; SMN2LMNAMEN1MAPK1
SCHEMBL15745368 0.81 DGAT1 (0.39) DHODHAPPKCNH2EPHX2RAB9A
SCHEMBL16167717 0.80 PLA2G4A (0.35) PLA2G4AHDAC3HDAC4HDAC1HDAC7
SCHEMBL15521971 0.78 DGAT1 (0.39) DHODHPLA2G4AHDAC3HDAC4HDAC1
SCHEMBL31035842 0.78 SMN1; SMN2 (0.54) DHODHPLA2G4AHDAC3HDAC4HDAC1
SCHEMBL15745369 0.77 KCNH2 (0.40) KCNH2RAB9AKDM4EALDH1A1NPC1
SCHEMBL17740780 0.77 DHODH (0.51) DHODHPLA2G4AHDAC3HDAC4HDAC1
SCHEMBL19483169 0.77 HDAC3 (0.53) DHODHPLA2G4AHDAC3HDAC4HDAC1
SCHEMBL16167711 0.76 STIM1 (0.36) DHODHKCNH2EPHX2MAPTMCHR1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9540400-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-01-10 US disclosed
US-20160200736-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-07-14 US disclosed
US-9273069-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-03-01 US disclosed
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2015-08-13 US disclosed
US-9040517-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2015-05-26 US disclosed
US-20140378434-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-12-25 US disclosed
US-8859536-B2 Compounds as diacylglycerol acyltransferase inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2014-10-14 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 (3 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-20160200736-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DHODH 405/4885PLA2G4A 791/4885HDAC3 532/4885
US-20150225425-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DHODH 405/4885PLA2G4A 791/4885HDAC3 532/4885
US-20140378434-A1 NOVEL COMPOUNDS AS DIACYLGLYCEROL ACYLTRANSFERASE INHIBITORS DGAT1, DGAT2, LCAT DHODH 405/4885PLA2G4A 791/4885HDAC3 532/4885

“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.