SCHEMBL4647602

SCHEMBL4647602

O=Cc1cc([N+](=O)[O-])c(F)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 2/20 0.46
TDP1 Q9NUW8 3/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 4/20 0.42
HIF1A Q16665 2/20 0.42
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
PRKDC P78527 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ERN1 O75460 2/20 0.40
ESPL1 Q14674 1/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
XDH P47989 1/20 0.39
KDM4A O75164 1/20 0.37
KDM4B O94953 1/20 0.37
HPGD P15428 1/20 0.37
TXNRD1 Q16881 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
SCHEMBL16396324 0.86 VCAM1 (0.50) VCAM1TDP1ATMALDH1A1HIF1A
Water SCHEMBL28761064 0.84 VCAM1 (0.49) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL17544061 0.84 TDP1 (0.42) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL537580 0.83 VCAM1 (0.55) VCAM1TDP1ALDH1A1CYP3A4ALOX15
SCHEMBL4301198 0.83 ATM (0.47) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL16370945 0.81 ATM (0.48) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL14578462 0.81 TDP1 (0.52) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL29580289 0.81 TDP1 (0.52) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL123793 0.81 TDP1 (0.52) VCAM1TDP1ATMALDH1A1HIF1A
SCHEMBL21635537 0.80 MEN1 (0.41) VCAM1TDP1ATMALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122079917-A Substituted isoxazoline carboxylic acid methyl ester compound and preparation method and application thereof 2026-05-26 CN claimed
CN-119528739-A Method for continuously producing 2-chloro-4-fluoro-5-nitrobenzaldehyde 江山(宜昌)作物科技有限公司 2025-02-28 CN claimed
CN-114105772-B Synthesis method of 2-chloro-4-fluoro-5-nitrobenzoic acid 阜新睿光氟化学有限公司 2024-12-03 CN claimed
CN-112225664-B Preparation method and application of nitrobenzaldehyde and 2-chloro-4-fluoro-5-nitrobenzaldehyde 南通江山农药化工股份有限公司 2023-03-24 CN claimed
CN-112500355-B Preparation method of substituted uracil benzaldehyde 南京正荣医药化学有限公司 2022-12-20 CN claimed
CN-115304450-A Continuous photocatalytic chlorination method and application thereof 南通江山农药化工股份有限公司 2022-11-08 CN claimed
CN-114507142-A Preparation process of 2-chloro-4-fluoro-5-nitrobenzaldehyde 上海予君生物科技发展有限公司 2022-05-17 CN claimed
CN-111848406-B Preparation method of 2-chloro-4-fluoro-5-nitrobenzaldehyde 沈阳中化农药化工研发有限公司 2022-03-29 CN claimed
CN-114105772-A Synthetic method of 2-chloro-4-fluoro-5-nitrobenzoic acid 阜新睿光氟化学有限公司 2022-03-01 CN claimed
CN-112500355-A Preparation method of substituted uracil benzaldehyde 南京正荣医药化学有限公司 2021-03-16 CN claimed
CN-112225664-A Preparation method and application of nitrobenzaldehyde and 2-chloro-4-fluoro-5-nitrobenzaldehyde 南通江山农药化工股份有限公司 2021-01-15 CN claimed
CN-111848406-A Preparation method of 2-chloro-4-fluoro-5-nitrobenzaldehyde 沈阳中化农药化工研发有限公司 2020-10-30 CN claimed
CN-122079972-A Substituted quinazolinone-isoxazoline compound, and preparation method and application thereof 2026-05-26 CN disclosed
CN-122079917-A Substituted isoxazoline carboxylic acid methyl ester compound and preparation method and application thereof 2026-05-26 CN disclosed
US-12606547-B2 Preparation method of phenylisoxazoline compound SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2026-04-21 US disclosed
EP-4698544-A1 COMPOUNDS AND USES THEREOF Foghorn Therapeutics Inc. (US) 2026-02-25 EP disclosed
WO-1990002120-A1 HERBICIDAL TRIAZOLINONES FMC CORPORATION (US) 1990-03-08 WO disclosed
US-4846882-A HALOBENZYL DERIVATIVES FMC CORPORATION (US) 1989-07-11 US disclosed
CN-87100152-A The compound of weeding 1987-08-12 CN disclosed
WO-1987004049-A1 N-SUBSTITUTED TETRAHYDROPHTHALIMIDE HERBICIDAL COMPOUNDS AND INTERMEDIATES THEREFOR FMC CORPORATION (US) 1987-07-16 WO 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-12606547-B2 Preparation method of phenylisoxazoline compound CPS1, CBR3, HNMT VCAM1 3809/4885TDP1 1522/4885ATM 1617/4885

“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.