SCHEMBL1254367

SCHEMBL1254367

Cc1c(-c2ccccc2)cn(C)c1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.47
GRIA4 P48058 3/20 0.40
GRIA2 P42262 2/20 0.40
CREBBP Q92793 2/20 0.39
PTGS1 P23219 1/20 0.38
SCN9A Q15858 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
HNF4A P41235 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP1A2 P05177 2/20 0.36
BRD9 Q9H8M2 1/20 0.36
BRD7 Q9NPI1 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
GAA P10253 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL29750688 0.88 BRD4 (0.46) BRD4CREBBPPTGS1SCN9APDCD1
SCHEMBL15161901 0.83 BRD4 (0.42) BRD4CREBBPPTGS1SCN9APDCD1
SCHEMBL1991144 0.83 BRD4 (0.42) BRD4GRIA4GRIA2CREBBPPTGS1
SCHEMBL1081579 0.75 GRIA4 (0.47) BRD4GRIA4GRIA2MEN1KMT2A
SCHEMBL9960704 0.75 HTT (0.33) BRD4GRIA4GRIA2MEN1KMT2A
SCHEMBL28782535 0.72 GPR35 (0.37) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL10046849 0.72 POLB (0.55) KMT2AKDM4EALDH1A1GAACYP2C9
SCHEMBL8922256 0.71 HSD17B10 (0.49) BRD4SMN1; SMN2CYP1A2KDM4EALDH1A1
SCHEMBL10463528 0.71 BRD4 (0.47) BRD4CREBBPMEN1KMT2ASMN1; SMN2
SCHEMBL7253526 0.71 NOTUM (0.40) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1

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
US-8268862-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-20110152254-A1 SIRTUIN MODULATING COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2011-06-23 US disclosed
US-7893086-B2 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2011-02-22 US disclosed
EP-2170905-A2 SIRTUIN MODULATING THIAZOLOPYRIDINE COMPOUNDS Sirtris Pharmaceuticals, Inc. (US) 2010-04-07 EP disclosed
US-20090105246-A1 Sirtuin modulating compounds SIRTRIS PHARMACEUTICALS, INC. (US) 2009-04-23 US disclosed
WO-2008156869-A2 SIRTUIN MODULATING THIAZOLOPYRIDINE COMPOUNDS SIRTRIS PHARMACEUTICALS, INC. (US) 2008-12-24 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 (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-20110152254-A1 SIRTUIN MODULATING COMPOUNDS SIRT1, SIRT3, SIRT2 BRD4 156/4885GRIA4 3996/4885GRIA2 3523/4885
US-20090105246-A1 Sirtuin modulating compounds SIRT1, SIRT3, SIRT2 BRD4 156/4885GRIA4 3996/4885GRIA2 3523/4885

“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.