SCHEMBL508581

SCHEMBL508581

O=[N+]([O-])c1cc2ncnc-2on1

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.34
MAPT P10636 5/20 0.34
RAB9A P51151 5/20 0.34
GRM5 P41594 1/20 0.34
PLCG2 P16885 1/20 0.33
AHR P35869 1/20 0.33
IDO1 P14902 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL6889892 0.70 IDO1 (0.33) NPC1MAPTRAB9AAHRIDO1
SCHEMBL6887963 0.68
SCHEMBL6887487 0.65 ERN1 (0.38) NPC1MAPTRAB9ACYP3A4
SCHEMBL6888757 0.64 NOTUM (0.41) MAPT
SCHEMBL6883982 0.63 MAPK1 (0.36) NPC1MAPTRAB9ACYP1A2
SCHEMBL6888453 0.62 RAB9A (0.52) NPC1MAPTRAB9A
SCHEMBL7691429 0.60 CA2 (0.38) NPC1MAPTRAB9A
SCHEMBL28812275 0.60 ALDH1A1 (0.35) CYP3A4
SCHEMBL6889201 0.60 LMNA (0.39) NPC1MAPTRAB9ACYP1A2
SCHEMBL6890028 0.60 PPARA (0.41) NPC1MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4727950-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2026-04-22 EP claimed
US-20260048047-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE SCRIPPS RESEARCH INST (US) 2026-02-19 US claimed
WO-2025096495-A1 ARYL FLUOROSULFATE-BASED INHIBITORS AS NOVEL ANTITUBERCULAR AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2025-05-08 WO claimed
US-20250129084-A1 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2025-04-24 US claimed
EP-4486454-A1 COMPOUNDS GlaxoSmithKline Intellectual Property Development Limited (GB) 2025-01-08 EP claimed
WO-2024256554-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-12-19 WO claimed
US-20240307385-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-19 US claimed
US-11969423-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-04-30 US claimed
WO-2024030121-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE THE SCRIPPS RESEARCH INSTITUTE (US) 2024-02-08 WO claimed
WO-2023156648-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-08-24 WO claimed
CN-111225910-B Novel compounds 葛兰素史密斯克莱知识产权发展有限公司 2023-03-24 CN claimed
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 claimed
CN-110997680-B Novel compound 葛兰素史密斯克莱知识产权发展有限公司 2022-10-21 CN claimed
EP-4029870-A1 TRICYCLIC BENZOXABOROLE COMPOUNDS AND USES THEREOF GlaxoSmithKline Intellectual Property (No.2) Limited (GB) 2022-07-20 EP claimed
US-11254689-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US claimed
US-11253499-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-02-22 US claimed
EP-4743446-A1 NITRO-CONTAINING COMPOUNDS THAT KILL MYCOBACTERIA Board of Trustees of Michigan State University (US) 2026-05-20 EP disclosed
EP-4727950-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN THE TREATMENT OF MYCOBACTERIAL INFECTIONS GlaxoSmithKline Intellectual Property Development Ltd (GB) 2026-04-22 EP disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 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 (7 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-20250129084-A1 Compounds CFTR, TBCA, TBCD NPC1 56/4885MAPT 217/4885RAB9A 1145/4885
US-20240307385-A1 NOVEL COMPOUNDS FNTB, SDHA, FDPS NPC1 88/4885MAPT 1598/4885RAB9A 1414/4885
US-11253499-B2 Compounds SDHA, SDHB, FDPS NPC1 114/4885MAPT 881/4885RAB9A 2120/4885
US-20260048047-A1 SMALL-MOLECULE ACTIVATORS OF MYCOBACTERIUM TUBERCULOSIS ADENYLYL CYCLASE FNTB, PDE7A, TBL3 NPC1 99/4885MAPT 4455/4885RAB9A 544/4885
US-11254689-B2 Compounds SDHA, SDHB, FDPS NPC1 114/4885MAPT 881/4885RAB9A 2120/4885
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 NPC1 869/4885MAPT 2006/4885RAB9A 973/4885
US-11969423-B2 Compounds SDHA, SDHB, FDPS NPC1 114/4885MAPT 881/4885RAB9A 2120/4885

“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.