SCHEMBL116805

SCHEMBL116805

O=[N+]([O-])c1cnc(Cl)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.43
CYP3A4 P08684 1/20 0.43
GLA P06280 1/20 0.42
AHR P35869 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
NQO2 P16083 1/20 0.39
IDO1 P14902 1/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
RECQL P46063 1/20 0.39
KAT2B Q92831 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL8462255 0.90 ALDH1A1 (0.39) ALDH1A1CYP3A4GLAAHRSIRT2
SCHEMBL6584069 0.90 SIRT2 (0.38) ALDH1A1CYP3A4GLAAHRSIRT2
SCHEMBL3491271 0.81 ALDH1A1 (0.37) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL30186060 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4GLANQO2IDO1
SCHEMBL29438693 0.80 ALDH1A1 (0.54) ALDH1A1AHRIDO1MAPTLMNA
SCHEMBL2404855 0.80 ALDH1A1 (0.46) ALDH1A1CYP3A4GLANQO2IDO1
SCHEMBL364459 0.80 ALDH1A1 (0.54) ALDH1A1AHRIDO1MAPTLMNA
SCHEMBL985995 0.78 AHR (0.51) ALDH1A1CYP3A4AHRIDO1MAPT
SCHEMBL29780392 0.78 AHR (0.51) ALDH1A1CYP3A4AHRIDO1MAPT
SCHEMBL10857430 0.78 ALDH1A1 (0.52) ALDH1A1AHRIDO1MAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433121-B Synthetic method of aliphatic diamine monomer for preparing transparent polyimide 东南大学 2023-11-28 CN claimed
CN-115433121-A Synthetic method of aliphatic diamine monomer for preparing transparent polyimide 东南大学 2022-12-06 CN claimed
CN-112142654-A Aromatic diamine monomer containing fluorene group and pyridine heterocyclic structure and preparation method and application thereof 东华大学 2020-12-29 CN claimed
US-20260097047-A1 Small molecule inhibitors of the ribosome biogenesis factor NVL2 BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2026-04-09 US disclosed
EP-4713096-A1 CDK INHIBITOR COMPOUNDS Aleksia Therapeutics, Inc. (US) 2026-03-25 EP disclosed
US-20260078117-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS INC (US) 2026-03-19 US disclosed
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF GENENTECH INC (US) 2026-03-05 US disclosed
US-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2026-01-20 US disclosed
EP-4134364-B1 BROMODOMAIN INHIBITORS CELGENE QUANTICEL RES INC (US) 2025-07-30 EP disclosed
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
US-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE HORIZON THERAPEUTICS IRELAND DAC (IE) 2025-05-29 US disclosed
EP-0934308-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1999-08-11 EP disclosed
WO-1999032480-A1 HETEROCYCLIC ETHER AND THIOETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1999-07-01 WO disclosed
WO-1998054187-A1 SPIRO-AZACYCLIC DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 1998-12-03 WO disclosed
WO-1998025920-A1 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS ABBOTT LABORATORIES (US) 1998-06-18 WO disclosed
EP-0846114-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-06-10 EP disclosed
WO-1997046554-A1 3-PYRIDYLOXYMETHYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-12-11 WO disclosed
WO-1996040682-A1 3-PYRIDYLOXYALKYL HETEROCYCLIC ETHER COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1996-12-19 WO disclosed
US-4584396-A Substituted phenoxypropionates and herbicidal compositions NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-04-22 US disclosed
US-4441913-A PRE- AND POST-EMERGENCE NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1984-04-10 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 (6 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-12528810-B2 Small molecule inhibitors of DYRK/CLK and uses thereof CLK3, CLK2, CLK1 ALDH1A1 3885/4885CYP3A4 3379/4885GLA 2991/4885
US-12338256-B2 Aza-tetracyclic oxazepine compounds and uses thereof AZI2, TET3, OXA1L ALDH1A1 1000/4885CYP3A4 852/4885GLA 2382/4885
US-20260062425-A1 AZA-TETRACYCLIC OXAZEPINE COMPOUNDS AND USES THEREOF KRAS, NRAS, HRAS ALDH1A1 908/4885CYP3A4 1005/4885GLA 3799/4885
US-20260097047-A1 Small molecule inhibitors of the ribosome biogenesis factor NVL2 NOC2L, RPS6, RPS3A ALDH1A1 4626/4885CYP3A4 3492/4885GLA 3976/4885
US-20250171431-A1 HETEROCYCLIC INHIBITORS OF IGF-1R FOR TREATMENT OF DISEASE IGF1R, TRHR, TSHR ALDH1A1 1694/4885CYP3A4 4550/4885GLA 472/4885
US-20260078117-A1 COMPOUNDS AND METHODS OF USE NR3C2, ADRA1A, CNR1 ALDH1A1 100/4885CYP3A4 706/4885GLA 1221/4885

“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.