SCHEMBL589324

SCHEMBL589324

Nc1cc([N+](=O)[O-])ccc1F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
HIF1A Q16665 1/20 0.62
CYP3A4 P08684 4/20 0.60
TSHR P16473 3/20 0.60
GAA P10253 2/20 0.60
THRB P10828 1/20 0.60
TDP1 Q9NUW8 9/20 0.59
ALOX15 P16050 2/20 0.55
HTT P42858 1/20 0.52
MEN1 O00255 3/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 3/20 0.49
GFER P55789 2/20 0.49
LMNA P02545 1/20 0.46
POLB P06746 2/20 0.46
KDM4E B2RXH2 1/20 0.46
ATM Q13315 1/20 0.46
APEX1 P27695 1/20 0.46
CASP6 P55212 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL307768 0.85 TDP1 (0.61) ALDH1A1HIF1ACYP3A4TSHRGAA
Hydrochloric Acid SCHEMBL29111475 0.83 TDP1 (0.59) ALDH1A1HIF1ACYP3A4TSHRGAA
SCHEMBL78293 0.82 CYP3A4 (0.69) ALDH1A1CYP3A4TSHRGAATHRB
SCHEMBL29353815 0.82 CYP3A4 (0.69) ALDH1A1CYP3A4TSHRGAATHRB
Nitrogen SCHEMBL28796125 0.82 TDP1 (0.57) ALDH1A1HIF1ACYP3A4TSHRGAA
SCHEMBL85604 0.80 ALDH1A1 (0.69) ALDH1A1HIF1ACYP3A4TSHRTDP1
SCHEMBL29379039 0.80 ALDH1A1 (0.69) ALDH1A1HIF1ACYP3A4TSHRTDP1
SCHEMBL28252591 0.80 ALDH1A1 (0.69) ALDH1A1HIF1ACYP3A4TSHRTDP1
Hydrochloric Acid SCHEMBL970605 0.80 CYP3A4 (0.67) ALDH1A1CYP3A4TSHRGAATHRB
SCHEMBL31435677 0.80 CYP3A4 (0.67) ALDH1A1CYP3A4TSHRGAATHRB

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 1090 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707773-A Preparation method and application of maleimide structure-containing compound 中国农业大学 2025-03-28 CN claimed
US-20230349872-A1 GUN SHOT RESIDUE FIELD KIT VERITEQUE USA, INC. 2023-11-02 US claimed
EP-4182657-A1 GUN SHOT RESIDUE FIELD KIT Veriteque USA, Inc. (US) 2023-05-24 EP claimed
CN-116113822-A Bullet residue field kit 韦里特克美国有限公司 2023-05-12 CN claimed
CN-116041189-A 2-fluoro-5-nitroaniline and preparation method thereof 杭州川硕科技有限公司 2023-05-02 CN claimed
CN-112094410-B Temperature-resistant polyimide resin containing furan ring and preparation method thereof 中国科学院宁波材料技术与工程研究所 2022-11-15 CN claimed
WO-2022020379-A1 GUN SHOT RESIDUE FIELD KIT VERITEQUE USA, INC. (US) 2022-01-27 WO claimed
CN-112094410-A Temperature-resistant polyimide resin containing furan ring and preparation method thereof 中国科学院宁波材料技术与工程研究所 2020-12-18 CN claimed
CN-106366072-B A kind of preparation method of AZD9291 上海工程技术大学 2018-12-07 CN claimed
CN-106366022-A Intermediate used for AZD9291 preparation, and preparation method and application thereof 上海工程技术大学 2017-02-01 CN claimed
CN-106366072-A Preparation method of AZD9291 上海工程技术大学 2017-02-01 CN claimed
US-8987469-B2 Process for the preparation of bendamustine HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2015-03-24 US claimed
EP-2690096-B1 Process for preparation of Bendamustine HEYL CHEM PHARM (DE) 2014-11-26 EP claimed
US-20140031560-A1 PROCESS FOR THE PREPARATION OF BENDAMUSTINE HEYL CHEMISCH-PHARMAZEUTISCHE FABRIK GMBH & CO. KG (DE) 2014-01-30 US claimed
EP-2690096-A1 Process for preparation of Bendamustine HEYL Chemisch-Pharmazeutische Fabrik GmbH und Co. KG (DE) 2014-01-29 EP claimed
US-5105012-A To form nitroanilines useful as chemical intermediates for herbicides and dyes FMC CORPORATION (US) 1992-04-14 US claimed
US-4563535-A Process for producing tetrahydrophthalimides SUMITOMO CHEMICAL CO., LTD. (JP) 1986-01-07 US claimed
EP-0155244-A2 1-Ethyl-6-fluoro-7-(1H-pirrol-1-yl)-1,4-dihydro-4-oxoquinoline-3-carboxylic acid: preparation and antimicrobial activities BIOCHEM DESIGN S.r.l. (IT) 1985-09-18 EP claimed
EP-0141972-A1 Process for producing tetrahydrophthalimides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1985-05-22 EP claimed
EP-0127079-A1 Process for preparing 2-fluoro-5-nitroaniline SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-12-05 EP claimed

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-20140031560-A1 PROCESS FOR THE PREPARATION OF BENDAMUSTINE OGDH, GCDH, BPGM ALDH1A1 76/4885HIF1A 325/4885CYP3A4 216/4885

“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.