SCHEMBL3139080

SCHEMBL3139080

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

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP3A4 P08684 4/20 0.52
RECQL P46063 1/20 0.52
GAA P10253 1/20 0.45
TDP1 Q9NUW8 6/20 0.44
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
HIF1A Q16665 1/20 0.40

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
SCHEMBL1521508 0.85 TDP1 (0.48) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL30578482 0.84 TSHR (0.59) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL17580458 0.84 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL11207797 0.84 TSHR (0.59) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL440478 0.84 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL29525219 0.84 ALDH1A1 (0.53) TSHRALDH1A1CYP3A4RECQLGAA
SCHEMBL500039 0.82 TDP1 (0.50) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL397387 0.82 ATM (0.50) TSHRALDH1A1CYP3A4RECQLTDP1
SCHEMBL8095561 0.82 MAPT (0.50) TSHRALDH1A1CYP3A4TDP1MAPT
SCHEMBL2471756 0.82 ALDH1A1 (0.47) TSHRALDH1A1CYP3A4RECQLGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN claimed
CN-111087395-A Preparation method for synthesizing pyrroloquinoline quinone by four-step method 江西农业大学 2020-05-01 CN claimed
CN-110981873-A Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2020-04-10 CN claimed
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 claimed
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 claimed
EP-4680236-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS ATAI Therapeutics, Inc. (US) 2026-01-21 EP disclosed
CN-119954709-A Preparation method of sulfoxide compound, aniline compound and preparation method of aniline compound 帕潘纳(北京)科技有限公司 2025-05-09 CN disclosed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
CN-110981873-B Preparation method for synthesizing pyrroloquinoline quinone by five-step method 江西农业大学 2025-01-24 CN disclosed
WO-2024192150-A2 3-ALKYLAMINE INDOLE ACTIVATORS OF SEROTONIN RECEPTORS Atai Therapeutics Inc. (US) 2024-09-19 WO disclosed
US-11952380-B2 Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors LUPIN LIMITED (IN) 2024-04-09 US disclosed
US-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF KURES, INC. 2023-11-23 US disclosed
EP-2125683-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS The Board of Trustees of the University of Illinois (US) 2009-12-02 EP 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
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
WO-2008077138-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-26 WO disclosed
WO-2008077138-A1 3-BENZOFURANYL-4-INDOLYL MALEIMIDES AS POTENT GSK3 INHIBITORS FOR NEUROGENERATIVE DISORDERS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-06-26 WO 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-1109784-A1 INDOLINE DERIVATIVES AS 5-HT2B AND/OR 5-HT2C RECEPTOR LIGANDS VERNALIS RESEARCH LIMITED (GB) 2001-06-27 EP 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 (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-20230373940-A1 CARBOXYLIC DIARYLTHIAZEPINEAMINES AND USES THEREOF CDKL5, KMT5A, CDKL1 TSHR 4254/4885ALDH1A1 1878/4885CYP3A4 2371/4885
US-11952380-B2 Substituted bicyclic heterocyclic compounds as PRMT5 inhibitors PRMT5, PRMT1, PRMT3 TSHR 3684/4885ALDH1A1 2553/4885CYP3A4 1372/4885

“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.