SCHEMBL2673406

SCHEMBL2673406

COc1ccc(CC2C(=O)NC(=O)NC2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.58
GLA P06280 1/20 0.58
TLR9 Q9NR96 1/20 0.47
HSD17B10 Q99714 1/20 0.46
MMP9 P14780 3/20 0.44
MMP2 P08253 2/20 0.44
MMP8 P22894 2/20 0.44
MMP13 P45452 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
CMA1 P23946 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
SCHEMBL30020202 0.87 GLA (0.55) NPSR1GLATLR9MMP9SMN1; SMN2
SCHEMBL19806741 0.83 DAO (0.50) NPSR1GLAHSD17B10MMP9MMP2
SCHEMBL9402139 0.83 NPSR1 (0.51) NPSR1GLATLR9HSD17B10MMP9
SCHEMBL13045114 0.83 DAO (0.43) NPSR1GLAHSD17B10ALDH1A1MAPT
SCHEMBL2673003 0.81 CMA1 (0.49) MEN1KMT2ACMA1
SCHEMBL6380741 0.81 NPSR1 (0.47) NPSR1GLAMMP9MMP2MMP8
SCHEMBL30019852 0.79 MAPT (0.60) GLAHSD17B10MEN1ALDH1A1MAPT
SCHEMBL18025766 0.79 GSK3B (0.68) NPSR1GLAHSD17B10MMP9ALDH1A1
SCHEMBL13044844 0.77 HRH3 (0.55) SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL30019695 0.77 ALDH1A1 (0.71) NPSR1GLAHSD17B10MMP9SMN1; 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022245120-A1 NOVEL COMPOUND AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR INHIBITING BIOFILM FORMATION OR VIRULENCE OF PATHOGENIC MICROORGANISM 부산대학교 산학협력단 2022-11-24 WO claimed
WO-2022245120-A1 NOVEL COMPOUND AND COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT FOR INHIBITING BIOFILM FORMATION OR VIRULENCE OF PATHOGENIC MICROORGANISM 부산대학교 산학협력단 2022-11-24 WO disclosed
US-20200038306-A1 BARBITURIC ACID DERIVATIVES AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
US-20200038306-A1 BARBITURIC ACID DERIVATIVES AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2020-02-06 US disclosed
EP-3522863-A1 BARBITURIC ACID DERIVATIVES AS SELF-TANNING SUBSTANCES Merck Patent GmbH (DE) 2019-08-14 EP disclosed
WO-2018065359-A1 BARBITURIC ACID DERIVATIVES AS SELF-TANNING SUBSTANCES MERCK PATENT GMBH (DE) 2018-04-12 WO disclosed
EP-3148983-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS The Johns Hopkins University (US) 2017-04-05 EP disclosed
US-9464061-B2 N-hydroxylamino-barbituric acid derivatives THE JOHNS HOPKINS UNIVERSITY (US) 2016-10-11 US disclosed
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES NATIONAL SCIENCE FOUNDATION 2016-03-03 US disclosed
WO-2015183838-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES AS NITROXYL DONORS THE JOHNS HOPKINS UNIVERSITY (US) 2015-12-03 WO disclosed
US-8173664-B2 Modified pyrimidine glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2012-05-08 US disclosed
WO-2010136804-A1 PYRIMIDINE DERIVATIVES FOR USE AS ANTIBIOTICS ASTON UNIVERSITY (GB) 2010-12-02 WO disclosed
EP-1778236-B1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS INC (US) 2010-07-14 EP disclosed
US-20090275600-A1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2009-11-05 US disclosed
US-7576076-B2 Modified pyrimidine glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2009-08-18 US disclosed
EP-1778236-A1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS Corcept Therapeutics, Inc. (US) 2007-05-02 EP disclosed
WO-2006014394-A1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS CORCEPT THERAPEUTICS, INC. (US) 2006-02-09 WO disclosed
US-20060025405-A1 Modified pyrimidine glucocorticoid receptor modulators CORCEPT THERAPEUTICS, INC. (US) 2006-02-02 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 (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-20060025405-A1 Modified pyrimidine glucocorticoid receptor modulators NR3C1, NR3C2, TYMS NPSR1 1453/4885GLA 4334/4885TLR9 876/4885
US-20200038306-A1 BARBITURIC ACID DERIVATIVES AS SELF-TANNING SUBSTANCES TYR, SLC6A1, GABBR1 NPSR1 1250/4885GLA 469/4885TLR9 4331/4885
US-20090275600-A1 MODIFIED PYRIMIDINE GLUCOCORTICOID RECEPTOR MODULATORS NR3C1, NR3C2, TYMS NPSR1 1453/4885GLA 4334/4885TLR9 876/4885
US-20160060229-A1 N-HYDROXYLAMINO-BARBITURIC ACID DERIVATIVES TNNT2, TNNI3, TNNC1 NPSR1 985/4885GLA 2797/4885TLR9 4553/4885

“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.