SCHEMBL13878887

SCHEMBL13878887

[N-]=[N+]=NCc1ccc(F)cn1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 2/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ DAO P14920 1/20 0.36
▸ MBOAT4 Q96T53 1/20 0.33
▸ HTR2A P28223 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31

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
SCHEMBL15409988 0.79 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL16560329 0.79 CCR1 (0.40) HTR2CSLC6A4KDM4EALDH1A1DAO
SCHEMBL15856196 0.78 GBA1 (0.38) KDM4EALDH1A1MBOAT4
SCHEMBL16166585 0.78 KDM4E (0.36) HTR2CSLC6A4KDM4EALDH1A1DAO
SCHEMBL22122693 0.78 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL14948664 0.75 HRH3 (0.43) KDM4EALDH1A1
SCHEMBL27934647 0.75 KDM4E (0.37) KDM4EALDH1A1
SCHEMBL24943215 0.75 CXCR4 (0.39) DAO
SCHEMBL15410730 0.74 S1PR1 (0.34) KDM4EALDH1A1
SCHEMBL14471375 0.74 MBOAT4 (0.37) KDM4EALDH1A1MBOAT4

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
CN-110997651-B Novel tetrazole compounds and their use in the treatment of tuberculosis 葛兰素史密斯克莱知识产权发展有限公司 2023-01-03 — — CN disclosed
US-11072591-B2 Tetrazole compounds and their use in the treatment of tuberculosis GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-27 — — US disclosed
US-11072591-B2 Tetrazole compounds and their use in the treatment of tuberculosis GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2021-07-27 — — US disclosed
EP-3668856-B1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-06-23 — — EP disclosed
EP-3668856-B1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE IP DEV LTD (GB) 2021-06-23 — — EP disclosed
US-20200231555-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-23 — — US disclosed
US-20200231555-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-07-23 — — US disclosed
EP-3668856-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GlaxoSmithKline Intellectual Property Development Limited (GB) 2020-06-24 — — EP disclosed
CN-110997651-A Novel tetrazole compounds and their use in the treatment of tuberculosis 葛兰素史密斯克莱知识产权发展有限公司 2020-04-10 — — CN disclosed
WO-2019034729-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-02-21 — — WO disclosed
EP-1720836-B1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS LILLY CO ELI (US) 2014-04-16 — — EP disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 — — US disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 — — EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 — — US 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-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS HTR2C, HTR5A, HTR4 HTR2C 1/4885SLC6A4 99/4885KDM4E 1208/4885
US-20200231555-A1 NOVEL TETRAZOLE COMPOUNDS AND THEIR USE IN THE TREATMENT OF TUBERCULOSIS TBL1XR1, TBCA, TST HTR2C 4734/4885SLC6A4 3084/4885KDM4E 4372/4885
US-11072591-B2 Tetrazole compounds and their use in the treatment of tuberculosis TST, TBCA, TBCD HTR2C 4612/4885SLC6A4 2863/4885KDM4E 4438/4885
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A HTR2C 1/4885SLC6A4 42/4885KDM4E 623/4885

“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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