SCHEMBL3188772

SCHEMBL3188772

NC(=O)Cc1cc(C(F)(F)F)ccn1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 1/20 0.49
NOS2 P35228 1/20 0.49
AURKA O14965 3/20 0.44
NR3C2 P08235 2/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MBOAT4 Q96T53 1/20 0.41
RIOK2 Q9BVS4 1/20 0.41
RPS6KB1 P23443 1/20 0.41
AURKB Q96GD4 1/20 0.41
ICMT O60725 1/20 0.40
KMT2A Q03164 1/20 0.40
GLS O94925 3/20 0.40
CSF1R P07333 1/20 0.39
SORT1 Q99523 1/20 0.39
ADRB2 P07550 1/20 0.38
KMO O15229 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL29894312 1.00 NOS3 (0.49) NOS3NOS2AURKANR3C2ALDH1A1
SCHEMBL17396703 0.85 AGBL2 (0.47) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL29755981 0.85 AGBL2 (0.47) NOS3NOS2ALDH1A1GAAL3MBTL1
Hydrochloric Acid SCHEMBL17653893 0.83 AGBL2 (0.46) NOS3NOS2ALDH1A1GAAL3MBTL1
Lithium Ion SCHEMBL17396698 0.83 NOS3 (0.44) NOS3NOS2NR3C2ALDH1A1GAA
SCHEMBL17396700 0.83 AGBL2 (0.46) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL17396822 0.82 NR3C2 (0.34) NOS3NOS2AURKANR3C2ICMT
SCHEMBL15505079 0.80 ALDH1A1 (0.48) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL17396756 0.78 AGBL2 (0.46) NOS3NOS2ALDH1A1GAAL3MBTL1
SCHEMBL17396881 0.78 CYP1A2 (0.42) ALDH1A1GAAKMT2AGLSMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360121-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2024-10-31 US disclosed
US-11958849-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-16 US disclosed
US-20230124815-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-04-20 US disclosed
US-20230124815-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2023-04-20 US disclosed
WO-2022222911-A1 PYRIMIDONE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-27 WO disclosed
US-11370786-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-28 US disclosed
US-11370786-B2 GLS1 inhibitors for treating disease BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-06-28 US disclosed
CN-107074805-B GLS1 inhibitors for the treatment of disease 德州大学系统董事会 2021-02-26 CN disclosed
US-20200407353-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-31 US disclosed
US-20200407353-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2020-12-31 US disclosed
EP-3164394-A2 GLS1 INHIBITORS FOR TREATING DISEASE Board of Regents, The University of Texas System (US) 2017-05-10 EP disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 US disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 US disclosed
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-14 US disclosed
WO-2016004404-A2 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO disclosed
WO-2016004404-A2 GLS1 INHIBITORS FOR TREATING DISEASE BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2016-01-07 WO disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-7666879-B2 Imidazo[1,2-A]pyridine compounds as VEGF-R2 inhibitors ELI LILLY AND COMPANY (US) 2010-02-23 US disclosed
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS ELI LILLY AND COMPANY 2009-09-10 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 (7 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-20240360121-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 NOS3 1868/4885NOS2 1711/4885AURKA 3758/4885
US-20230124815-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 NOS3 1868/4885NOS2 1711/4885AURKA 3758/4885
US-20160009704-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 NOS3 1868/4885NOS2 1711/4885AURKA 3758/4885
US-11370786-B2 GLS1 inhibitors for treating disease GLS2, GLS, GLB1 NOS3 2395/4885NOS2 2366/4885AURKA 3991/4885
US-11958849-B2 GLS1 inhibitors for treating disease GLS2, GLS, GLG1 NOS3 1868/4885NOS2 1711/4885AURKA 3758/4885
US-20200407353-A1 GLS1 INHIBITORS FOR TREATING DISEASE GLS2, GLS, GLG1 NOS3 1868/4885NOS2 1711/4885AURKA 3758/4885
US-20090227622-A1 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AS VEGF-R2 INHIBITORS KDR, FLT1, FLT4 NOS3 251/4885NOS2 138/4885AURKA 773/4885

“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.