SCHEMBL2909351

SCHEMBL2909351

COC(=O)CN(C)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
TSHR P16473 4/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.40
CHRM1 P11229 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 2/20 0.36
TET2 Q6N021 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD11B1 P28845 1/20 0.33
HTT P42858 1/20 0.33
DPP4 P27487 1/20 0.33
PREP P48147 1/20 0.33

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
SCHEMBL10145810 0.81 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL19073823 0.81 MGAM (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL27488643 0.80 TSHR (0.43) MGAMGAASIMGAM2TSHR
SCHEMBL14902242 0.79 MGAM (0.52) MGAMGAASIMGAM2TSHR
Hydrochloric Acid SCHEMBL27828749 0.78 MEN1 (0.46) MGAMGAASIMGAM2TSHR
SCHEMBL21488882 0.78 CHRM1 (0.37) CHRM1CA12CA1CA2CA9
SCHEMBL10242493 0.78 TSHR (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL9516095 0.78 TSHR (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL2909349 0.78 TSHR (0.42) MGAMGAASIMGAM2TSHR
SCHEMBL1421576 0.78 ALDH1A1 (0.39) MGAMGAASIMGAM2TSHR

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12152048-B2 Nitroxoline prodrug and use thereof JIANGSU YAHONG MEDITECH CO., LTD. (CN) 2024-11-26 US disclosed
US-20230190864-A1 PURIFIED AMPHIPHILIC PEPTIDE COMPOSITIONS AND USES THEREOF 3-D MATRIX, LTD. (JP) 2023-06-22 US disclosed
US-20200038309-A1 COMPOSITION, ARTIFICIAL NAIL COMPOSITION, NAIL DECORATION MATERIAL, ARTIFICIAL NAIL, STORED CONTAINER, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD RICOH COMPANY, LTD. (JP) 2020-02-06 US disclosed
US-20160317607-A1 Purified Amphiphilic Peptide Compositions and Uses Thereof 3-D MATRIX, LTD. (JP) 2016-11-03 US disclosed
WO-2014086751-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-06-12 WO disclosed
WO-2014086723-A1 USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS BAYER CROPSCIENCE AG (DE) 2014-06-12 WO disclosed
US-20130281547-A1 Purified Amphiphilic Peptide Compositions and Uses Thereof 3D MATRIX, INC. 2013-10-24 US disclosed
US-8212050-B2 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2012-07-03 US disclosed
US-20110301355-A1 Amidine compounds and herbicides NIPPON SODA CO., LTD. (JP) 2011-12-08 US disclosed
EP-2336141-A2 Phosphoramidate alkylator prodrugs Threshold Pharmaceuticals, Inc. (US) 2011-06-22 EP disclosed
EP-1578423-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-09-28 EP disclosed
WO-2004052366-A9 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AG (DE) 2005-06-23 WO disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-6861424-B2 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-01 US disclosed
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-02-17 US disclosed
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-07-15 US disclosed
WO-2004052366-A1 2-AMINOCARBONYL-QUINOLINE COMPOUNDS AS PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-06-24 WO disclosed
EP-1412349-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS Schering Aktiengesellschaft (DE) 2004-04-28 EP disclosed
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2003-03-27 US disclosed
WO-2002098856-A2 PIPERAZINE OXYQUINOLINE (NAPHTHALINE) PLATELET ADENOSINE DIPHOSPHATE RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2002-12-12 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 (10 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-12152048-B2 Nitroxoline prodrug and use thereof NOS1, NOS2, NNT MGAM 1695/4885GAA 2690/4885SI 226/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MGAM 4747/4885GAA 3605/4885SI 4754/4885
US-20050038037-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MGAM 4747/4885GAA 3605/4885SI 4754/4885
US-20200038309-A1 COMPOSITION, ARTIFICIAL NAIL COMPOSITION, NAIL DECORATION MATERIAL, ARTIFICIAL NAIL, STORED CONTAINER, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD NACA, PIK3C3, DPM1 MGAM 3729/4885GAA 4484/4885SI 4880/4885
US-20230190864-A1 PURIFIED AMPHIPHILIC PEPTIDE COMPOSITIONS AND USES THEREOF IAPP, NGLY1, VIP MGAM 3502/4885GAA 2943/4885SI 1630/4885
US-20110301355-A1 Amidine compounds and herbicides DDT, GATD3, PAM MGAM 701/4885GAA 193/4885SI 2066/4885
US-20040138229-A1 Platelet adenosine diphosphate receptor antagonists TBXA2R, ADORA1, P2RY1 MGAM 4218/4885GAA 3639/4885SI 4652/4885
US-20030060474-A1 Platelet adenosine diphosphate receptor antagonists ADORA1, TBXA2R, ADORA2B MGAM 4680/4885GAA 3343/4885SI 4505/4885
US-20160317607-A1 Purified Amphiphilic Peptide Compositions and Uses Thereof IAPP, NGLY1, VIP MGAM 3502/4885GAA 2943/4885SI 1630/4885
US-20130281547-A1 Purified Amphiphilic Peptide Compositions and Uses Thereof IAPP, NGLY1, VIP MGAM 3502/4885GAA 2943/4885SI 1630/4885

“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.