Sugi Predict

Sugi Predict / Compounds / SCHEMBL2590213

SCHEMBL2590213

SCHEMBL2590213

O=[N+]([O-])c1ccc(Cl)c(F)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.67
▸ ALDH1A1 P00352 7/20 0.57
▸ HIF1A Q16665 1/20 0.57
▸ VCAM1 P19320 1/20 0.55
▸ RORC P51449 1/20 0.50
▸ KMT2A Q03164 5/20 0.49
▸ PDE7A Q13946 3/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 2/20 0.48
▸ NPC1 O15118 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ PDE4B Q07343 1/20 0.46
▸ PDE4D Q08499 1/20 0.46
▸ PDE7B Q9NP56 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL30780972 1.00 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
Fluoride SCHEMBL29135029 0.98 HSD17B10 (0.64) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL29535654 0.83 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL169304 0.83 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL19654571 0.83 HSD17B10 (0.67) HSD17B10ALDH1A1HIF1AVCAM1RORC
Ammonia Solution, Strong SCHEMBL28217171 0.82 HSD17B10 (0.64) HSD17B10ALDH1A1HIF1AVCAM1RORC
SCHEMBL21835328 0.81 HSPB1 (0.62) HSD17B10ALDH1A1KMT2APDE7AMEN1
SCHEMBL85918 0.80 HSD17B10 (1.00) HSD17B10ALDH1A1VCAM1KMT2APDE7A
SCHEMBL29360183 0.80 HSD17B10 (1.00) HSD17B10ALDH1A1VCAM1KMT2APDE7A
SCHEMBL85604 0.80 ALDH1A1 (0.69) HSD17B10ALDH1A1HIF1AKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114805080-B Method for continuously separating 3-chloro-4-fluoronitrobenzene 福建技术师范学院 2024-06-14 — — CN claimed
CN-115453000-B Detection method and application of toxic impurities in tenib drug intermediate 广州艾格生物科技有限公司 2023-10-27 — — CN claimed
CN-115453000-A Detection method and application of toxic impurities in tinib drug intermediate 广州艾格生物科技有限公司 2022-12-09 — — CN claimed
CN-110498730-A A kind of synthetic method of 1,2,4- trifluoro-benzene ZHEJIANG LINJIANG CHEMICAL CO LTD 2019-11-26 — — CN claimed
CN-109704972-A The preparation method of one kind 2,3,4- trifluoronitrobenzene 张天冬 2019-05-03 — — CN claimed
CN-109400459-A The preparation method of 2,4,5- trifluoro benzene acetic acid 浙江工业大学上虞研究院有限公司 2019-03-01 — — CN claimed
CN-105646140-B A kind of preparation method of 1,2,4,5- phenyl tetrafluorides 浙江工业大学 2018-06-29 — — CN claimed
CN-104496824-B A kind of method using o-dichlorohenzene as raw material coproduction QNS key intermediate 滨海永太医化有限公司 2017-09-29 — — CN claimed
EP-2563781-B1 PROCESSES FOR PREPARING LINEZOLID UNIV INDIANA RES & TECH CORP (US) 2016-10-26 — — EP claimed
CN-104478731-B One utilizes micro passage reaction to synthesize the method for the chloro-3-fluoronitrobenzene of 2,4-bis- ZHEJIANG YONGTAI TECHNOLOGY CO., LTD. (CN) 2016-04-13 — — CN claimed
EP-2563781-A1 PROCESSES FOR PREPARING LINEZOLID Indiana University Research and Technology Corporation (US) 2013-03-06 — — EP claimed
US-20130053557-A1 PROCESSES FOR PREPARING LINEZOLID INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2013-02-28 — — US claimed
CN-102911080-A Method for preparing 2,6-dichloro-alpha-(4-chlorphenyl)-4-nitro phenylacetonitrile UNIV QUZHOU 2013-02-06 — — CN claimed
CN-102617360-A Synthetic method of 3, 5-dichloro-2, 4-difluoroaniline JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2012-08-01 — — CN claimed
CN-102249881-A Method for co-producing quinolone drug key intermediate by taking o-dichlorobenzene as raw material BINHAI YONGTAI MEDICAL CHEMICAL CO LTD 2011-11-23 — — CN claimed
WO-2011137222-A1 PROCESSES FOR PREPARING LINEZOLID INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2011-11-03 — — WO claimed
CN-1357530-A Process of preparing 2,3,4-trifluoro nitrobenzene using o-chloro nitrobenzene KUNSHAN SHUNGHE PHARMACEUTICAL (CN) 2002-07-10 — — CN claimed
EP-0635481-B1 Process for the preparation of fluoronitrobenzenes CLARIANT GMBH (DE) 1998-12-09 — — EP claimed
US-5476976-A Process for preparing fluoronitrobenzenes HOECHST AG (DE) 1995-12-19 — — US claimed
EP-0635481-A2 Process for the preparation of fluoronitrobenzenes HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-25 — — 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-20130053557-A1 PROCESSES FOR PREPARING LINEZOLID CYP2C9, CYP2C19, CYP3A43 HSD17B10 1215/4885ALDH1A1 703/4885HIF1A 3470/4885

“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.