SCHEMBL894816

SCHEMBL894816

N#Cc1c(Cl)ccc([N+](=O)[O-])c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.60
VCAM1 P19320 7/20 0.54
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
HTR2B P41595 2/20 0.41
MERTK Q12866 2/20 0.40
GRM6 O15303 1/20 0.40
GRIA1 P42261 1/20 0.40
GRIA2 P42262 1/20 0.40
GRIA3 P42263 1/20 0.40
GRIA4 P48058 1/20 0.40
RAB9A P51151 1/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
APEX1 P27695 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
SCHEMBL30583791 1.00 TDP1 (0.60) TDP1VCAM1TSHRMAPK1HTR2A
SCHEMBL8313813 0.87 VCAM1 (0.56) TDP1VCAM1TSHRMAPK1MERTK
SCHEMBL272708 0.85 TDP1 (0.60) TDP1VCAM1TSHRMAPK1MERTK
SCHEMBL1115821 0.83 TDP1 (0.62) TDP1VCAM1TSHRMAPK1HTR2A
SCHEMBL8390568 0.82 VCAM1 (0.51) TDP1VCAM1TSHRMAPK1MERTK
SCHEMBL7860943 0.82 VCAM1 (0.51) TDP1VCAM1TSHRMAPK1RAB9A
SCHEMBL2001345 0.82 VCAM1 (0.51) TDP1VCAM1TSHRMAPK1MERTK
SCHEMBL1749233 0.82 VCAM1 (0.47) TDP1VCAM1TSHRMAPK1HTR2A
SCHEMBL10989363 0.82 VCAM1 (0.47) TDP1VCAM1TSHRMAPK1HTR2A
Hydroxyamine SCHEMBL6264479 0.81 TDP1 (0.55) TDP1VCAM1TSHRMAPK1MERTK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563579-B Azobenzene-polyarylether nitrile composite material and preparation method thereof 西南石油大学 2023-09-15 CN claimed
CN-113563579-A Azobenzene-poly (arylene ether nitrile) composite material and preparation method thereof 西南石油大学 2021-10-29 CN claimed
US-20260124209-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2026-05-07 US disclosed
US-12594276-B2 Inhibitors of human immunodeficiency virus replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2026-04-07 US disclosed
EP-4225739-B1 PREPARATION OF BENZIMIDAZOLONE DERIVATIVES AS NOVEL DIACYLGLYCERIDE O-ACYLTRANSFERASE 2 INHIBITORS MERCK SHARP & DOHME LLC (US) 2026-01-21 EP disclosed
US-20250249005-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2025-08-07 US disclosed
EP-4523755-A2 QUINAZOLINE DERIVATIVES AS ANTITUMOR AGENTS F. Hoffmann-La Roche AG (CH) 2025-03-19 EP disclosed
EP-3870577-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2025-03-19 EP disclosed
US-20250019383-A1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2025-01-16 US disclosed
CN-119039288-A Pyrido [2,3-d ] pyrimidine derivatives as inhibitors of HIV replication VIIV保健英国第五有限公司 2024-11-29 CN disclosed
US-20240374598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2024-11-14 US disclosed
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
WO-2001025238-A2 HETEROCYCLIC COMPOUNDS USEFUL AS INHIBITORS OF TYROSINE KINASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-04-12 WO disclosed
WO-2001007912-A2 IMMUNOASSAY FOR PESTICIDES AND THEIR DEGRADATION PRODUCTS EXIQON A/S (US) 2001-02-01 WO disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
EP-0732942-A4 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS COCENSYS INC (US) 2000-03-22 EP disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-05-20 US disclosed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP disclosed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 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 (5 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-12594276-B2 Inhibitors of human immunodeficiency virus replication SAMHD1, IRF3, SLC34A1 TDP1 3152/4885VCAM1 2437/4885TSHR 4820/4885
US-20250019383-A1 PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION TYMP, TYMS, DPYD TDP1 409/4885VCAM1 2505/4885TSHR 4461/4885
US-20240374598-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H TDP1 660/4885VCAM1 2710/4885TSHR 4804/4885
US-20260124209-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION ZC3HAV1, GTF3C1, ODC1 TDP1 1797/4885VCAM1 662/4885TSHR 2585/4885
US-20250249005-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, REV1, RTF2 TDP1 1161/4885VCAM1 1223/4885TSHR 4818/4885

“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.