SCHEMBL39862

SCHEMBL39862

O=[N+]([O-])c1ccc(F)cc1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ATM Q13315 1/20 0.64
GPR35 Q9HC97 3/20 0.62
HPGD P15428 3/20 0.50
CYP3A4 P08684 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
TTR P02766 2/20 0.50
HIF1A Q16665 1/20 0.50
KCNMA1 Q12791 1/20 0.48
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL29486360 1.00 TDP1 (0.64) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL28661794 0.98 TDP1 (0.62) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL28107243 0.98 TDP1 (0.62) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL29087916 0.89 TDP1 (0.53) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL8815813 0.88 TDP1 (0.51) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL5495526 0.85 ALDH1A1 (0.51) TDP1ATMGPR35TTRMAPT
SCHEMBL229093 0.83 MAPK1 (0.62) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL28287904 0.82 MAPK1 (0.60) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL29745239 0.80 TDP1 (0.72) TDP1ATMGPR35HPGDCYP3A4
SCHEMBL216553 0.80 TDP1 (0.72) TDP1ATMGPR35HPGDCYP3A4

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 1417 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117362284-B Flumioxazin and its preparation method Process for the preparation of amines 厦门大学 2026-05-12 CN claimed
CN-116143768-B Benzoxazinone compound containing thioquinazolinone ring as well as preparation method and application thereof 浙江工业大学 2025-06-24 CN claimed
CN-116514662-B Preparation method of 5-fluoro-2-nitrophenol 山东京博农化科技股份有限公司 2025-03-04 CN claimed
CN-119500034-A Dynamic tubular reactor and process for preparing flumioxazin 甘肃联凯生物科技有限公司 2025-02-25 CN claimed
CN-116655554-B Green synthesis method of flumioxazin key intermediate 浙江南郊化学有限公司 2024-10-18 CN claimed
CN-116082267-B 6-Substituted flumioxazin compound as well as preparation method and application thereof 浙江工业大学 2024-10-11 CN claimed
CN-116178300-B Benzoxazinone compound containing diphenyl ether structure and preparation method and application thereof 浙江工业大学 2024-09-17 CN claimed
CN-116082325-B Benzoxazinone compound containing isoxazole heterocycle, and preparation method and application thereof 浙江工业大学 2024-04-16 CN claimed
CN-117378617-A Flumioxazin herbicide and preparation method thereof 甘肃联凯生物科技有限公司 2024-01-12 CN claimed
CN-117362284-A Preparation method of flumioxazin 厦门大学 2024-01-09 CN claimed
CN-106083536-A A kind of preparation method of the bent key intermediate in Ansai 浙江永太科技股份有限公司 2016-11-09 CN claimed
CN-106045861-A Method and system for continuously producing 5-fluoro-2-nitrophenol 山东润博生物科技有限公司 2016-10-26 CN claimed
CN-105837480-A Preparation method for asymmetric aromatic thioether 南京理工大学 2016-08-10 CN claimed
WO-2014122674-A1 PROCESS FOR PREPARATION OF DERIVATIVES OF TETRAHYDROPHTHALIMIDE RALLIS INDIA LIMITED (IN) 2014-08-14 WO claimed
US-7365231-B2 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE & TECHNOLOGY (TW) 2008-04-29 US claimed
US-20060241187-A1 Compound with antitumor activity and preparation method therefor NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2006-10-26 US claimed
CN-1207269-C 1,3,5-tri(3-hydroxy-4-aminophenoxy)benzene and its hydrochlorides and preparation thereof UNIV SHANGHAI JIAOTONG (CN) 2005-06-22 CN claimed
CN-1203048-C 3,5-bi(3-hydroxy-4-aminophenoxy)benzoic acid and its hydrochlorides and preparation thereof UNIV SHANGHAI COMMUNICATION (CN) 2005-05-25 CN claimed
CN-1472191-A 1,3,5-tri(3-hydroxy-4-aminophenoxy)benzene and its hydrochlorides and preparation thereof 上海交通大学 2004-02-04 CN claimed
CN-1472192-A 3,5-bi(3-hydroxy-4-aminophenoxy)benzoic acid and its hydrochlorides and preparation thereof 上海交通大学 2004-02-04 CN 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-20060241187-A1 Compound with antitumor activity and preparation method therefor WEE1, WEE2, CYP51A1 TDP1 617/4885ATM 4595/4885GPR35 2929/4885

“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.