SCHEMBL472686

SCHEMBL472686

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.62
ALDH5A1 P51649 1/20 0.62
ABAT P80404 1/20 0.62
ALDH1A1 P00352 5/20 0.58
HIF1A Q16665 1/20 0.58
XDH P47989 1/20 0.53
MAPT P10636 3/20 0.53
ALDH3A1 P30838 2/20 0.53
ALDH1A3 P47895 1/20 0.53
LMNA P02545 2/20 0.46
HTT P42858 2/20 0.46
CA1 P00915 1/20 0.46
MMP2 P08253 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ABL1 P00519 1/20 0.44

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
SCHEMBL14880649 0.86 ALDH1A1 (0.60) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL29954747 0.85 ATM (0.60) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL572475 0.85 ATM (0.60) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL27889233 0.84 ALDH1A1 (0.53) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL8552005 0.83 ALDH1A1 (0.56) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL17826828 0.83 ALDH1A1 (0.56) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL31023049 0.83 ALDH1A1 (0.56) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL16959600 0.83 ALDH1A1 (0.56) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL23891778 0.82 VCAM1 (0.53) VCAM1ALDH5A1ABATALDH1A1HIF1A
SCHEMBL31484716 0.82 ALDH5A1 (0.69) VCAM1ALDH5A1ABATALDH1A1XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119490460-A Preparation method of IDH1 mutant inhibitor 昆药集团股份有限公司 2025-02-21 CN claimed
CN-116589397-A Fluorescent probe for detecting glyoxal, and preparation method and application thereof 天津理工大学 2023-08-15 CN claimed
CN-113149881-B Chiral derivatization reagent and preparation method and application thereof 宁波大学 2022-07-19 CN claimed
CN-113387865-B Fluorescent probe for detecting methylglyoxal and preparation method and application thereof 军事科学院军事医学研究院环境医学与作业医学研究所 2022-06-07 CN claimed
CN-113387865-A Fluorescent probe for detecting methylglyoxal and preparation method and application thereof 军事科学院军事医学研究院环境医学与作业医学研究所 2021-09-14 CN claimed
CN-113149881-A Chiral derivatization reagent and preparation method and application thereof 宁波大学 2021-07-23 CN claimed
CN-106187904-B Propiolamido-containing 2-phenylimidazole derivative and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2021-07-06 CN claimed
CN-101967113-B 3-alloc amido-3-(3- nitryl-4-fluorophenyl) propionic acid and preparation method thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2012-08-22 CN claimed
CN-101962349-B 3-Boc amidocyanogen-3-(3-nitryl-4-fluorophenyl) monoprop and preparation method thereof OKEANOS TECH CO LTD 2012-08-22 CN claimed
CN-101985432-B 3-Fmoc amino-3-(3-nitro-4-fluophenyl) propionic acid and preparation method thereof OKEANOS TECH CO LTD 2012-02-22 CN claimed
CN-101985432-A 3-Fmoc amino-3-(3-nitro-4-fluophenyl) propionic acid and preparation method thereof OKEANOS TECH CO LTD 2011-03-16 CN claimed
CN-101967113-A 3-alloc amido-3-(3- nitryl-4-fluorophenyl) propionic acid and preparation method thereof BEIJING OKEANOS TECHNOLOGY CO LTD 2011-02-09 CN claimed
CN-101962349-A 3-Boc amidocyanogen-3-(3-nitryl-4-fluorophenyl) monoprop and preparation method thereof OKEANOS TECH CO LTD 2011-02-02 CN claimed
US-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex QUANTUM MEDICAL HOLDINGS, LLC 2010-02-11 US claimed
WO-2010016858-A2 MOLECULAR IMAGING PROBES CARESTREAM HEALTH, INC. (US) 2010-02-11 WO claimed
US-4456772-A Process for the preparation of optionally substituted fluoro-nitro-benzaldehydes BAYER AKTIENGESELLSCHAFT (DE) 1984-06-26 US claimed
EP-4716685-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2026-04-01 EP disclosed
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
EP-0061113-A1 Method for the preparation of optionally substituted fluoronitrobenzaldehydes BAYER AG (DE) 1982-09-29 EP disclosed
EP-0053743-A2 Reactive dioxazine dyestuffs, process for their preparation and their use in dyeing and printing fibrous materials containing hydroxyle or amide groups BAYER AG (DE) 1982-06-16 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 (2 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-20100034748-A1 Molecular imaging probes based on loaded reactive nano-scale latex CLTA, COPE, CD68 VCAM1 1073/4885ALDH5A1 4066/4885ABAT 3910/4885
US-20260070906-A1 IMIDAZO[4,5-C]PYRIDINE COMPOUNDS FOR THE TREATMENT OF CANCER TLR1, TLR6, TLR8 VCAM1 1228/4885ALDH5A1 3852/4885ABAT 2290/4885

“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.