SCHEMBL6071292

SCHEMBL6071292

COC(=O)/C=C/c1cncc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.45
ALDH1A1 P00352 4/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
HPGD P15428 2/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TP53 P04637 1/20 0.43
CYP2C9 P11712 1/20 0.43
ALOX15 P16050 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP1A1 P04798 1/20 0.43
CYP2D6 P10635 1/20 0.43

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
SCHEMBL6071296 1.00 CCNC (0.52) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL2846706 0.85 CYP11B2 (0.42) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL2846708 0.85 CYP11B2 (0.42) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL22366337 0.83 CDK8 (0.56) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL21001955 0.82 SMN1; SMN2 (0.39) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL29484670 0.81 KMT2A (0.49) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL5292811 0.81 HDAC8 (0.64) KMT2AKDM4ESMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL3628443 0.81 KMT2A (0.49) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL3628444 0.81 KMT2A (0.49) CCNCCDK8KMT2AKDM4ESMN1; SMN2
SCHEMBL23606857 0.76 KMT2A (0.49) CCNCCDK8KMT2AKDM4ESMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
WO-2005019177-A1 AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed
WO-2005019177-A1 AMINOPIPERIDINE AMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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 (2 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 CCNC 609/4885CDK8 1483/4885KMT2A 1196/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 CCNC 1013/4885CDK8 1922/4885KMT2A 1592/4885

“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.