SCHEMBL1466944

SCHEMBL1466944

O=Cc1ccc([N+](=O)[O-])c([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.69
ABAT P80404 1/20 0.69
VCAM1 P19320 1/20 0.69
ALDH1A1 P00352 8/20 0.57
MAPT P10636 6/20 0.57
ALDH3A1 P30838 2/20 0.57
ALDH1A3 P47895 1/20 0.57
XDH P47989 1/20 0.53
CYP3A4 P08684 1/20 0.52
TSHR P16473 1/20 0.52
CASP6 P55212 1/20 0.47
TTR P02766 1/20 0.46
HPGD P15428 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL31484716 1.00 ALDH5A1 (0.69) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL16838212 0.83 ALDH5A1 (0.59) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL10971487 0.83 ALDH5A1 (0.65) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL3113789 0.82 VCAM1 (0.73) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL244093 0.82 ALDH5A1 (1.00) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL472686 0.82 VCAM1 (0.62) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL572475 0.82 ATM (0.60) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL2517648 0.82 ALDH5A1 (0.62) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL9664317 0.82 TDP1 (0.60) ALDH5A1ABATVCAM1ALDH1A1MAPT
SCHEMBL6514512 0.82 ALDH5A1 (0.62) ALDH5A1ABATVCAM1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
CN-1035614-C Benzylidene derivatives SHIONOGI & CO (JP) 1997-08-13 CN claimed
EP-0595546-B1 Benzylidene derivatives SHIONOGI & CO (JP) 1996-03-20 EP claimed
US-5418230-A Antiinflammatory SHIONOGI & CO., LTD. (JP) 1995-05-23 US claimed
US-4472386-A 5-Fluoro-(β-uridine or 2'-deoxy-β-uridine) derivatives, a process for producing the same and a carcinostatic agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1984-09-18 US claimed
US-20250262212-A1 COMPOSITION FOR SUPPRESSING PROLIFERATION OF CANCER STEM CELLS CHEMITERAS, INC. (JP) 2025-08-21 US disclosed
EP-4548922-A1 COMPOSITION FOR INHIBITING PROLIFERATION OF CANCER STEM CELLS Chemiteras, Inc. (JP) 2025-05-07 EP disclosed
CN-110577489-B Synthetic method of narcotic analgesic 宜昌人福药业有限责任公司 2023-02-21 CN disclosed
CN-112079823-B Near-infrared frequency up-conversion fluorescence molecular probe, preparation method and application 中国药科大学 2022-03-29 CN disclosed
CN-112079823-A Near-infrared frequency up-conversion fluorescence molecular probe, preparation method and application 中国药科大学 2020-12-15 CN disclosed
CN-110577489-A Synthetic method of narcotic analgesic 宜昌人福药业有限责任公司 2019-12-17 CN disclosed
CN-104211692-B Derivative as Ou Ruola kinase inhibitor 广东东阳光药业有限公司 2019-05-24 CN disclosed
CN-1035614-C Benzylidene derivatives SHIONOGI & CO (JP) 1997-08-13 CN disclosed
EP-0595546-B1 Benzylidene derivatives SHIONOGI & CO (JP) 1996-03-20 EP disclosed
US-5482971-A Beta3 -adrenergic agents and their use in pharmaceutical compositions AMERICAN CYANAMID COMPANY (US) 1996-01-09 US disclosed
CN-1092414-A Benzylidene derivatives SHIONOGI & CO (JP) 1994-09-21 CN disclosed
EP-0595546-A1 Benzylidene derivatives SHIONOGI & CO., LTD. (JP) 1994-05-04 EP disclosed
US-4472386-A 5-Fluoro-(β-uridine or 2'-deoxy-β-uridine) derivatives, a process for producing the same and a carcinostatic agent containing the same TOYAMA CHEMICAL CO., LTD. (JP) 1984-09-18 US disclosed
EP-0092830-A2 Cephalosporin derivatives, process for their preparation, pharmaceutical compositions containing them and their application CIBA-GEIGY AG (CH) 1983-11-02 EP 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 (1 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-20250262212-A1 COMPOSITION FOR SUPPRESSING PROLIFERATION OF CANCER STEM CELLS MKI67, KIT, CCNI ALDH5A1 809/4885ABAT 3665/4885VCAM1 1114/4885

“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.