SCHEMBL67959

SCHEMBL67959

O=C=NC(=O)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
PTPN1 P18031 1/20 0.42
LTA4H P09960 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
ALPG P10696 1/20 0.39
TNFRSF1A P19438 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.37
GFER P55789 1/20 0.37
HTR7 P34969 1/20 0.37

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
SCHEMBL3393415 0.89 TP53 (0.36) CES2CES1CA1CA2ALDH1A1
SCHEMBL572232 0.81 CES2 (0.48) CES2CES1CA1CA2BCL2L1
SCHEMBL4247526 0.78 CES2 (0.50) CES2CES1CA1CA2RAB9A
SCHEMBL811028 0.78 ALDH1A1 (0.50) CES2CES1NPC1RAB9ASMN1; SMN2
SCHEMBL15540018 0.78 TPMT (0.48) CA1CA2PTPN1
SCHEMBL3205731 0.78 CES2 (0.50) CES2CES1CA1CA2NPC1
SCHEMBL28364182 0.78 MAPT (0.42) CA1CA2NPC1RAB9ASMN1; SMN2
SCHEMBL6993491 0.78 CES2 (0.55) CES2CES1PTPN1MEN1KMT2A
SCHEMBL84542 0.77 CES1 (0.46) CES2CES1CA1CA2RAB9A
SCHEMBL11139683 0.77 CES1 (0.46) CES2CES1CA1CA2RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
CN-115197113-B Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2023-08-18 CN disclosed
CN-115197113-A Combretastatin A-4 derivative containing thiourea structure, preparation method and application thereof 南通大学 2022-10-18 CN disclosed
US-20210371375-A1 hTERT MODULATORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-12-02 US disclosed
US-20200361860-A1 hTERT MODULATORS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-11-19 US disclosed
US-10556860-B2 hTERT modulators and methods of use ARIZONA BOARD OF REGENTS (US) 2020-02-11 US disclosed
US-20180346415-A1 hTERT MODULATORS AND METHODS OF USE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2018-12-06 US disclosed
EP-3383841-A1 hTERT MODULATORS AND METHODS OF USE The Arizona Board of Regents On Behalf of the University of Arizona (US) 2018-10-10 EP disclosed
WO-2017095969-A1 hTERT MODULATORS AND METHODS OF USE THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2017-06-08 WO disclosed
US-8865732-B2 Heterocyclic compounds and uses thereof NOVARTIS AG (CH) 2014-10-21 US disclosed
WO-2004071507-A1 TETRACYCLIC PYRAZOLE DERIVATIVES AS KINASE INHIBITORS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM PHARMACIA ITALIA S.P.A. (IT) 2004-08-26 WO disclosed
EP-1435948-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-07-14 EP disclosed
WO-2004048347-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2004-06-10 WO disclosed
WO-2003013517-A1 AMINOISOXAZOLE DERIVATIVES ACTIVE AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2003-02-20 WO disclosed
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP disclosed
EP-1086064-A2 DIRECTED COMBINATORIAL COMPOUND LIBRARY AND HIGH THROUGHPUT ASSAYS FOR SCREENING SAME Glycodesign Inc. (CA) 2001-03-28 EP disclosed
WO-2000025768-A1 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2000-05-11 WO disclosed
WO-1999064378-A2 DIRECTED COMBINATORIAL COMPOUND LIBRARY AND HIGH THROUGHPUT ASSAYS FOR SCREENING SAME GLYCODESIGN INC. (CA) 1999-12-16 WO disclosed
WO-1995033711-A1 PHENYL BENZOYL(NICOTINOYL) UREA DERIVATIVES HANWHA CORPORATION (KR) 1995-12-14 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 (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-20200361860-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 CES2 4208/4885CES1 2844/4885CA1 4389/4885
US-10556860-B2 hTERT modulators and methods of use TERT, POT1, TERF2 CES2 4566/4885CES1 3674/4885CA1 4124/4885
US-20210371375-A1 hTERT MODULATORS AND METHODS OF USE TERT, TERF2, RB1 CES2 4014/4885CES1 3386/4885CA1 4573/4885
US-20180346415-A1 hTERT MODULATORS AND METHODS OF USE TERT, POT1, TERF2 CES2 4566/4885CES1 3674/4885CA1 4124/4885

“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.