SCHEMBL4246590

SCHEMBL4246590

COc1ccc(C(=O)N=C=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.55
CES1 P23141 2/20 0.55
CA1 P00915 6/20 0.53
CA2 P00918 6/20 0.53
PARP10 Q53GL7 2/20 0.52
PARP1 P09874 1/20 0.52
PARP2 Q9UGN5 1/20 0.52
PARP4 Q9UKK3 1/20 0.52
PLK1 P53350 1/20 0.48
MAPT P10636 2/20 0.47
GSK3B P49841 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47

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 0.83 TP53 (0.36) CES2CES1CA1CA2MAPT
SCHEMBL1031217 0.83 CES2 (0.53) CES2CES1CA1CA2PARP10
SCHEMBL6997144 0.81 ELANE (0.53) MAPTMEN1LMNARAB9AKMT2A
SCHEMBL3890043 0.80 CES2 (0.50) CES2CES1CA1CA2PARP10
SCHEMBL4248781 0.80 PARP10 (0.56) PARP10PLK1MAPTLMNARAB9A
SCHEMBL8717053 0.79 CES2 (0.64) CES2CES1CA1CA2PARP10
SCHEMBL6997537 0.79 CES2 (0.61) CES2CES1PARP1MAPTMEN1
SCHEMBL811028 0.78 ALDH1A1 (0.50) CES2CES1MAPTGSK3BMEN1
SCHEMBL2922979 0.78 CES2 (0.61) CES2CES1CA1CA2PARP10
SCHEMBL9278503 0.78 CES2 (0.61) CES2CES1CA1CA2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-2838531-B1 INDOLIN-2-ONE DERIVATIVES AS PROTEIN KINASE INHIBITORS ANNJI PHARM CO LTD (CN) 2016-09-21 EP disclosed
US-8946282-B2 Indolin-2-one derivatives as protein kinase inhibitors Annji Pharmaceutical Co., Ltd. (TW) 2015-02-03 US disclosed
EP-1565447-A1 1,2,4-TRIAZOLE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ Corporation (KR) 2005-08-24 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
US-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators BRISTOL-MYERS SQUIBB COMPANY 2003-11-27 US disclosed
EP-0874809-B1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 2003-08-27 EP disclosed
US-6239175-B1 Carbamoyloxy derivatives of mutiline and their use as antibacterials SMITHKLINE BEECHAM P.L.C. (GB) 2001-05-29 US disclosed
US-6020368-A MICROBIOCIDES HINKS JEREMY DAVID (US) 2000-02-01 US disclosed
EP-0874809-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1998-11-04 EP disclosed
WO-1997025309-A1 CARBAMOYLOXY DERIVATIVES OF MUTILINE AND THEIR USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-17 WO disclosed
US-5386057-A Process for the preparation of acyl isocyanates SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1995-01-31 US disclosed
EP-0000656-B1 4\"-UREIDO-OLEANDOMYCIN DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS PFIZER INC. (US) 1981-02-11 EP 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 (5 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-20030220227-A1 3-Arylquinazoline derivatives as selective estrogen receptor beta modulators ESR2, ESRRA, ESRRG CES2 1441/4885CES1 780/4885CA1 3338/4885
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.