SCHEMBL68282

SCHEMBL68282

CNc1cccc(-c2cnc(C=CC(=O)OC)nc2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
MEN1 O00255 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
NTRK1 P04629 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
CDK8 P49336 2/20 0.38
IP6K1 Q92551 1/20 0.37
IP6K3 Q96PC2 1/20 0.37
IP6K2 Q9UHH9 1/20 0.37
CCNC P24863 1/20 0.37
PARP1 P09874 1/20 0.37
PARP15 Q460N3 1/20 0.37
PARP14 Q460N5 1/20 0.37
PARP10 Q53GL7 1/20 0.37

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
SCHEMBL68281 1.00 KMT2A (0.42) KMT2AKDM4ESMN1; SMN2CYP4F2CYP4A11
SCHEMBL67785 0.80 CA12 (0.53) KDM4ESMN1; SMN2HTTSIRT2SIRT1
SCHEMBL67159 0.80 KDM4E (0.38) KMT2AKDM4ESMN1; SMN2CYP4F2CYP4A11
SCHEMBL67784 0.80 CA12 (0.53) KDM4ESMN1; SMN2HTTSIRT2SIRT1
SCHEMBL67160 0.80 KDM4E (0.38) KMT2AKDM4ESMN1; SMN2CYP4F2CYP4A11
SCHEMBL2081754 0.72 TTR (0.47) KMT2AKDM4ESMN1; SMN2MEN1HTT
SCHEMBL86818 0.72 CYP4F2 (0.41) CYP4F2CYP4A11NTRK1SIRT2CDK8
SCHEMBL2085388 0.72 EPHX2 (0.55) KMT2AKDM4ESMN1; SMN2MEN1LMNA
SCHEMBL22092230 0.70 CA12 (0.47) KMT2AKDM4ESMN1; SMN2MEN1LMNA
SCHEMBL22092229 0.70 CA12 (0.47) KMT2AKDM4ESMN1; SMN2MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RES & DEV (FR) 2013-11-14 US disclosed
US-8513297-B2 Biaromatic compounds that modulate PPARy type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2013-08-20 US disclosed
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-05-17 US disclosed
US-8129416-B2 Biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2012-03-06 US disclosed
EP-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed
US-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-01-31 US disclosed
EP-1814871-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2007-08-08 EP disclosed
WO-2006053791-A2 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT (FR) 2006-05-26 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 (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-20080027077-A1 Novel biaromatic compounds that modulate PPARgamma type receptors and cosmetic/pharmaceutical compositions comprised thereof PPARG, PPARD, PPARA KMT2A 3488/4885KDM4E 4032/4885SMN1; SMN2 4797/4885
US-20130303549-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA KMT2A 3225/4885KDM4E 3263/4885SMN1; SMN2 4790/4885
US-20120121527-A1 NOVEL BIAROMATIC COMPOUNDS THAT MODULATE PPARy TYPE RECEPTORS AND COSMETIC/PHARMACEUTICAL COMPOSITIONS COMPRISED THEREOF PPARG, PPARD, PPARA KMT2A 3225/4885KDM4E 3263/4885SMN1; SMN2 4790/4885

“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.