SCHEMBL1120057

SCHEMBL1120057

O=C(O)Cn1nc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
LMNA P02545 5/20 0.43
TSHR P16473 2/20 0.43
POLB P06746 2/20 0.43
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
GAA P10253 2/20 0.39
CYP2C9 P11712 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL1881506 0.89 GRN (0.43) KDM4ELMNATSHRPOLBPKM
SCHEMBL1878695 0.89 KDM4E (0.44) KDM4ELMNATSHRPOLBPKM
SCHEMBL13169942 0.85 LMNA (0.46) KDM4ELMNATSHRPOLBPKM
SCHEMBL2586697 0.81 GRIN1 (0.46) KDM4ELMNATSHRPOLBTP53
SCHEMBL3690937 0.81 LMNA (0.43) KDM4ELMNATSHRPOLBTP53
SCHEMBL30417 0.81 LMNA (0.63) KDM4ELMNATSHRPOLBTP53
SCHEMBL17653946 0.81 LMNA (0.62) KDM4ELMNAPOLBPKML3MBTL1
SCHEMBL23212928 0.81 TP53 (0.49) KDM4ELMNATSHRPOLBTP53
SCHEMBL1877443 0.80 LMNA (0.44) KDM4ELMNATSHRPKML3MBTL1
SCHEMBL19795466 0.79 LMNA (0.39) KDM4ELMNATSHRPKMNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041729-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-27 EP disclosed
WO-2022243810-A1 NOVEL AGROCHEMICAL COMPOSITION COMPRISING PIPERIDINE THIAZOLE COMPOUNDS PI INDUSTRIES LTD. (IN) 2022-11-24 WO disclosed
US-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-11-24 US disclosed
EP-4041729-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-17 EP disclosed
CN-112920180-A Glutaminase inhibitors 理森制药股份公司 2021-06-08 CN disclosed
WO-2021070054-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-15 WO disclosed
CN-105960405-B Glutaminase inhibitors 理森制药股份公司 2021-02-19 CN disclosed
EP-3092235-A2 NOVEL INHIBITORS OF GLUTAMINASE Rhizen Pharmaceuticals S.A. (CH) 2016-11-16 EP disclosed
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE RHIZEN PHARMACEUTICALS AG (CH) 2016-10-13 US disclosed
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-08-27 US disclosed
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents BAYER CROPSCIENCE AG (DE) 2011-05-05 US disclosed
EP-2280965-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AG (DE) 2011-02-09 EP disclosed
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 US disclosed
WO-2009132785-A1 THIAZOL-4-CARBOXYLIC ACID ESTERS AND THIOESTERS AS PLANT PROTECTION AGENTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT 2009-11-05 WO disclosed
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides BAYER CROPSCIENCE AG (DE) 2009-01-22 US disclosed
EP-1962605-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS Merck & Co., Inc. (US) 2008-09-03 EP disclosed
WO-2008091594-A2 FUNGICIDAL MIXTURES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-31 WO disclosed
EP-1948649-A2 FUNGICIDAL CARBOXAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2008-07-30 EP disclosed
WO-2007070433-A2 2-ARYLTHIAZOLE DERIVATIVES AS CXCR3 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-06-21 WO disclosed
WO-2007014290-A2 FUNGICIDAL CARBOXAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2007-02-01 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 (6 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-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H KDM4E 2356/4885LMNA 3778/4885TSHR 4804/4885
US-20160297761-A1 NOVEL INHIBITORS OF GLUTAMINASE GLS, GLS2, GLUL KDM4E 2324/4885LMNA 3156/4885TSHR 3312/4885
US-20110105429-A1 Thiazole-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents ACOT7, LYPLA1, PPT1 KDM4E 1123/4885LMNA 3382/4885TSHR 64/4885
US-20150237859-A1 Thiazol-4-Carboxylic Acid Esters and Thioesters as Plant Protection Agents LYPLA1, ACOT7, PPT1 KDM4E 1527/4885LMNA 3375/4885TSHR 49/4885
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 KDM4E 3447/4885LMNA 4877/4885TSHR 697/4885
US-20090023752-A1 N-Heterocyclylphthaldiamides as Insecticides DDT, NQO2, NIT2 KDM4E 2551/4885LMNA 283/4885TSHR 2454/4885

“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.