SCHEMBL13754453

SCHEMBL13754453

[N-]=[N+]=Nc1ccc(CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.50
▸ CAMK2A Q9UQM7 1/20 0.50
▸ AKR1B1 P15121 1/20 0.48
▸ TP53 P04637 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ GAA P10253 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ ABCC4 O15439 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ HPGD P15428 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ RGS12 O14924 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ APEX1 P27695 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ BLM P54132 1/20 0.46

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
SCHEMBL14270104 0.83 CA2 (0.52) CA2TP53CA1CA5ACA9
SCHEMBL13754584 0.81 FFAR1 (0.53) CA2TP53LMNACA1FFAR1
SCHEMBL29002854 0.81 PTGS2 (0.50) TP53HPGDKDM4EMAPTTDP1
SCHEMBL27945227 0.80 AKR1B1 (0.48) CA2AKR1B1LMNAGAATSHR
SCHEMBL14720056 0.79 SMN1; SMN2 (0.55) LMNATSHRHSD17B10MAPTNFKB1
SCHEMBL30977974 0.78 MAPT (0.56) GAAKDM4EMAPTCYP51A1PTGS2
SCHEMBL1633999 0.77 CA2 (0.60) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL1633998 0.77 CA2 (0.60) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL13754456 0.77 CA2 (0.50) CA2CAMK2AAKR1B1LMNAGAA
SCHEMBL21407450 0.77 CYP1A2 (0.46) CA2TP53LMNATSHRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250263413-A1 COMPOUNDS HAVING CYCLIN-DEPENDENT KINASE(CDK)-INHIBITORY FUNCTION QURIENT CO., LTD. (KR) 2025-08-21 — — US disclosed
EP-4249470-B1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS UNIV MARBURG (DE) 2024-11-13 — — EP disclosed
EP-4332089-A1 METHOD FOR PREPARING AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2024-03-06 — — EP disclosed
EP-4255909-A1 COMPOUNDS HAVING CYCLIN-DEPENDENT KINASE(CDK)-INHIBITORY FUNCTION Qurient Co. Ltd. (KR) 2023-10-11 — — EP disclosed
EP-4249470-A1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2023-09-27 — — EP disclosed
US-20220409773-A1 TRANSPLANTATION DEVICE USING CHEMICALLY CROSSLINKED ALGINIC ACID MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2022-12-29 — — US disclosed
WO-2022117504-A1 COMPOUNDS HAVING CYCLIN-DEPENDENT KINASE(CDK)-INHIBITORY FUNCTION QURIENT CO., LTD. (KR) 2022-06-09 — — WO disclosed
EP-3613755-A1 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Novartis AG (CH) 2020-02-26 — — EP disclosed
EP-2655357-B1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO SA (CH) 2016-06-22 — — EP disclosed
US-9359400-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2016-06-07 — — US disclosed
CN-105593238-A Lysine-specific chemoenzymatic protein modification using microbial transglutaminase NOVARTIS AG 2016-05-18 — — CN disclosed
CN-103429585-B Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2015-07-08 — — CN disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
US-9073892-B2 Indazolyl triazol derivatives MERCK SERONO S.A. (CH) 2015-07-07 — — US disclosed
WO-2015006728-A2 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USERA AIMEE (US) 2015-01-15 — — WO disclosed
CN-103429585-A Indazolyl triazole derivatives as interleukin-1 receptor associated kinase inhibitors MERCK SERONO SA 2013-12-04 — — CN disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES MERCK SERONO S.A. - INTELLECTUAL PROPERTY (CH) 2013-10-17 — — US disclosed
WO-2012084704-A1 INDAZOLYL TRIAZOLE DERIVATIVES AS IRAK INHIBITORS MERCK SERONO S.A. (CH) 2012-06-28 — — WO disclosed
WO-2009105746-A2 TRIAZOLES AND PROCESSES FOR PRODUCING THE SAME UNIVERSITY OF SOUTH FLORIDA (US) 2009-08-27 — — 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 (2 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-20250263413-A1 COMPOUNDS HAVING CYCLIN-DEPENDENT KINASE(CDK)-INHIBITORY FUNCTION CDK1, CDK2, CCNI CA2 3708/4885CAMK2A 402/4885AKR1B1 2458/4885
US-20130274241-A1 INDAZOLYL TRIAZOL DERIVATIVES NFATC1, IL5, CD4 CA2 3377/4885CAMK2A 1196/4885AKR1B1 1540/4885

“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.

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