SCHEMBL7671583

SCHEMBL7671583

Cc1cc(F)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ TSHR P16473 5/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ RECQL P46063 1/20 0.43
▸ TDP1 Q9NUW8 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PPIA P62937 1/20 0.41
▸ MAPT P10636 3/20 0.41
▸ HIF1A Q16665 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ TXNRD3 Q86VQ6 1/20 0.39
▸ TXNRD2 Q9NNW7 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL30006209 1.00 ALDH1A1 (0.44) ALDH1A1SLC6A4TSHRCYP3A4RECQL
SCHEMBL10306693 0.92 ALDH1A1 (0.48) ALDH1A1SLC6A4TSHRCYP3A4RECQL
SCHEMBL8155261 0.86 ALDH1A1 (0.40) ALDH1A1SLC6A4TSHRCYP3A4RECQL
SCHEMBL8155400 0.86 ALDH1A1 (0.40) ALDH1A1SLC6A4TSHRCYP3A4RECQL
SCHEMBL29739473 0.85 TDP1 (0.46) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL600922 0.85 TDP1 (0.46) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL29804082 0.84 TSHR (0.48) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL3175084 0.84 TSHR (0.48) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL29525219 0.84 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLTDP1
SCHEMBL440478 0.84 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4RECQLTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4653423-A1 PYRAZOL-5-ETHER COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF CAC Nantong Chemical Co., Ltd. (CN) 2025-11-26 — — EP disclosed
EP-3590516-B1 ANTITUMOR-EFFECT ENHANCER USING PYRAZOLO[3,4-D]PYRIMIDINE COMPOUND TAIHO PHARMACEUTICAL CO LTD (JP) 2025-09-03 — — EP disclosed
CN-120081802-A Heterocyclic substituted benzamide derivative and application thereof 南华大学附属第一医院 2025-06-03 — — CN disclosed
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives GRUENENTHAL GMBH (DE) 2024-10-03 — — US disclosed
CN-118702628-A Pyrazole-5-ether compound as well as preparation method and application thereof 南通泰禾化工股份有限公司 2024-09-27 — — CN disclosed
CN-115151252-B Iron death inhibitor-diarylamine acetamides 维泰瑞隆有限公司 2024-08-27 — — CN disclosed
US-11981677-B2 Further substituted triazolo quinoxaline derivatives Grünenthal GmbH (DE) 2024-05-14 — — US disclosed
EP-4090660-B1 QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-31 — — EP disclosed
EP-3823970-B1 FURTHER SUBSTITUTED TRIAZOLO QUINOXALINE DERIVATIVES GRUENENTHAL GMBH (DE) 2024-01-03 — — EP disclosed
CN-112771046-B Other substituted triazoloquinoxaline derivatives 格吕伦塔尔有限公司 2023-09-19 — — CN disclosed
US-9920060-B2 Pyrazolo[3,4-d]pyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-03-20 — — US disclosed
US-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-08-03 — — US disclosed
CN-101544589-B Preparation for medicinal intermediate 6-chloro-5-fluroindole for synthesizing anti-cancer medicament Shanghai titan chemical co ltd 2011-11-23 — — CN disclosed
CN-101544589-A Preparation for medicinal intermediate 6-chloro-5-fluroindole for synthesizing anti-cancer medicament Shanghai titan chemical co ltd 2009-09-30 — — CN disclosed
US-6380239-B1 FOR THERAPY OF ARTHRITIS, RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, REPERFUSION INJURY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, ULCERATIVE COLITIS, SYSTEMIC LUPUS ERYTHREMATOSIS, SCLERODERMA, APHTHOUS ULCERS, ASTHMA CELGENE CORPORATION 2002-04-30 — — US disclosed
US-6380238-B1 FOR THERAPY OF DISORDERS OF THE CENTRAL NERVOUS SYSTEM; DAMAGE TO THE CENTRAL NERVOUS SYSTEM; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS; DIABETES INSIPIDUS, AND SLEEP APNEA VERNALIS RESEARCH LIMITED (GB) 2002-04-30 — — US disclosed
EP-1163219-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2001-12-19 — — EP disclosed
EP-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 — — EP disclosed
WO-2000055134-A1 SUBSTITUTED 1-OXO- AND 1,3-DIOXOISOINDOLINES AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR REDUCING INFLAMMATORY CYTOKINE LEVELS CELGENE CORPORATION (US) 2000-09-21 — — WO disclosed
WO-2000012475-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2000-03-09 — — 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 (3 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-20170217970-A1 NOVEL PYRAZOLO[3,4-d]PYRIMIDINE COMPOUND OR SALT THEREOF ERBB2, JAK2, ERBB4 ALDH1A1 3457/4885SLC6A4 1556/4885TSHR 994/4885
US-20240327416-A1 Further Substituted Triazolo Quinoxaline Derivatives NR3C1, GRK5, NR3C2 ALDH1A1 1654/4885SLC6A4 793/4885TSHR 209/4885
US-11981677-B2 Further substituted triazolo quinoxaline derivatives NR3C1, GRK5, NR3C2 ALDH1A1 1654/4885SLC6A4 793/4885TSHR 209/4885

“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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