SCHEMBL308086

SCHEMBL308086

O=[N+]([O-])c1ccc(F)c(Cl)c1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.50
TSHR P16473 3/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 6/20 0.47
HIF1A Q16665 3/20 0.47
VCAM1 P19320 3/20 0.44
CASP6 P55212 1/20 0.43
POLB P06746 3/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 2/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
LMNA P02545 1/20 0.39
GPR35 Q9HC97 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL29705108 1.00 TDP1 (0.50) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL28753530 0.93 TDP1 (0.44) TDP1TSHRMAPK1ATMALDH1A1
Formic Acid SCHEMBL27537874 0.91 TDP1 (0.43) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL2551163 0.85 TDP1 (0.63) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL29940081 0.85 TDP1 (0.63) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL4603872 0.83 TDP1 (0.67) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL29435969 0.83 TDP1 (0.67) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL3723529 0.83 TDP1 (0.55) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL31342321 0.83 TDP1 (0.55) TDP1TSHRMAPK1ATMALDH1A1
SCHEMBL10526798 0.82 TDP1 (0.48) TDP1TSHRMAPK1ATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105801429-B A kind of preparation method of the chloro- 2,4 difluorobenzene amine of 3,5- bis- 安徽新北卡化学有限公司 2019-09-24 CN claimed
CN-109369414-A A method of preparing the chloro- 2,4 difluorobenzene amine of Teflubenzuron intermediate 3,5- bis- 江苏中旗科技股份有限公司 2019-02-22 CN claimed
CN-105801429-A Preparation method for 3,5,-dichloro-2,4,-difluoroaniline 上海北卡医药技术有限公司 2016-07-27 CN claimed
CN-102617360-A Synthetic method of 3, 5-dichloro-2, 4-difluoroaniline JIANGXI JIXIANG PHARMACEUTICAL CO LTD 2012-08-01 CN claimed
EP-1284977-B1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS GLAXOSMITHKLINE ZAGREB (HR) 2009-06-24 EP claimed
CN-1267402-C Synthetic method for 3,5-dichloro-2,4-difluoronitrobenzene and teflubenzuron UNIV ZHEJIANG TECHNOLOGY (CN) 2006-08-02 CN claimed
CN-1683318-A Synthetic method for 3,5-dichloro-2,4-difluoronitrobenzene and teflubenzuron UNIV ZHEJIANG POLYTECHNIC (CN) 2005-10-19 CN claimed
US-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors PLIVA FARMACEUTSKA INDUSTRIJA, DIONICKO DRUSTVO 2003-08-14 US claimed
EP-1284977-A1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS PLIVA-ISTRAZIVACKI INSTITUT d.o.o. (HR) 2003-02-26 EP claimed
WO-2001087890-A1 THIENODIBENZOAZULENE COMPOUNDS AS TUMOR NECROSIS FACTOR INHIBITORS PLIVA, FARMACEUTSKA INDUSTRIJA, DIONIKO DRUSTVO (HR) 2001-11-22 WO claimed
EP-0667337-B1 Method for preparing fluoroanilines CLARIANT GMBH (DE) 1998-01-21 EP claimed
US-5498794-A Process for preparing fluoroanilines HOECHST AKTIENGESELLSCHAFT (DE) 1996-03-12 US claimed
EP-0667337-A1 Method for preparing fluoroanilines HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-16 EP claimed
US-5294742-A Process for preparing 3,5-difluoroaniline HOECHST ATKIENGESELLSCHAFT (DE) 1994-03-15 US claimed
US-5066802-A Multistep process from 2,4-difluoro-3-chloronitrobenzene and mercaptoisopropanol or mercaptopropanediol MEDIOLANUM FARMACEUTICI SRL. (IT) 1991-11-19 US claimed
US-4868299-A Antibacterially active pyrido-benzothiazine derivatives with long-term action MEDIOLANUM FARMACEUTICI SRL (IT) 1989-09-19 US claimed
EP-0310969-A2 Pyrido-benzothiazine derivatives having high antibacterial activity and high bioavailability to tissues MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1989-04-12 EP claimed
JP-3090057-A None JP disclosed
EP-0001825-A1 Method of preparing 2,4-difluoroaniline MERCK & CO. INC. (US) 1979-05-16 EP disclosed
US-4140719-A Solid-liquid phase transfer catalysis improved method of preparing 2,4-difluoroaniline MERCK & CO., INC. (US) 1979-02-20 US 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-20030153750-A1 Thienodibenzoazulene compounds as tumor necrosis factor inhibitors TNF, IL1B, IL1A TDP1 1710/4885TSHR 2774/4885MAPK1 764/4885

“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.