SCHEMBL40024

SCHEMBL40024

O=[N+]([O-])c1ccc(F)cc1Br

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.64
ATM Q13315 1/20 0.64
MAPT P10636 4/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CYP19A1 P11511 2/20 0.46
AAK1 Q2M2I8 1/20 0.45
HSPB1 P04792 3/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 2/20 0.42
PDE7A Q13946 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HIF1A Q16665 1/20 0.42
CYP3A4 P08684 2/20 0.41
KCNMA1 Q12791 1/20 0.41
TSHR P16473 1/20 0.41
CTSB P07858 1/20 0.41
VCAM1 P19320 1/20 0.40

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
SCHEMBL29449184 1.00 TDP1 (0.64) TDP1ATMMAPTGAAHTT
SCHEMBL31190183 0.83 TDP1 (0.59) TDP1ATMMAPTGAAHTT
SCHEMBL229248 0.83 TDP1 (0.59) TDP1ATMMAPTGAAHTT
SCHEMBL29745239 0.80 TDP1 (0.72) TDP1ATMHSPB1MAPK1PDE7A
SCHEMBL216553 0.80 TDP1 (0.72) TDP1ATMHSPB1MAPK1PDE7A
SCHEMBL4641179 0.78 SIRT6 (0.60) MAPTL3MBTL1MAPK1ALDH1A1
SCHEMBL165733 0.78 CYP19A1 (0.49) TDP1ATMMAPTCYP19A1AAK1
SCHEMBL29385912 0.78 TDP1 (1.00) TDP1ATMHSPB1MAPK1PDE7A
SCHEMBL57112 0.78 TDP1 (1.00) TDP1ATMHSPB1MAPK1PDE7A
SCHEMBL29431838 0.78 CYP19A1 (0.49) TDP1ATMMAPTCYP19A1AAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178264-A Synthesis method of bixafen 西安近代化学研究所 2023-05-30 CN claimed
CN-109369411-A A kind of preparation method of the bromo- 4- bromo nitrobenzene phenol of 3- 常州大学 2019-02-22 CN claimed
CN-108031441-A There is the modified activated carbon absorbent of absorption property to the orthophosphates in water body 北京益清源环保科技有限公司 2018-05-15 CN claimed
CN-104016875-B A kind of synthetic method of 5-[4-(2,4-dibromo-phenoxy base)-3-bromophenyl] methane amide butyric acid JIANGNAN UNIVERSITY (CN) 2015-12-09 CN claimed
CN-104016875-A Synthesis method of 5-[4-(2,4-dibromophenoxy)-3-bromophenyl]formamidobutyric acid UNIV JIANGNAN 2014-09-03 CN claimed
CN-102199099-B Method for preparing 3-bromo-4-methoxyaniline UNIV CHANGZHOU 2013-12-18 CN claimed
CN-117820191-B Diphenylamine compound and preparation method, application and pharmaceutical composition thereof FUDAN UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-122036699-A THR-beta modulators and methods of use thereof 阿利戈斯治疗公司 2026-05-15 CN disclosed
EP-4741383-A1 COMPOUND AND USE THEREOF AS ANTI-CANCER DRUG Tyligand Bioscience (Shanghai) Limited (CN) 2026-05-13 EP disclosed
US-12589156-B2 Benzimidazole and benzimidazolone based protac compounds for the targeted degradation of leucine rich repeat kinase 2 (LRRK2) ARVINAS OPERATIONS, INC. (US) 2026-03-31 US disclosed
US-20260085066-A1 LEUCINE RICH REPEAT KINASE 2 (LRRK2) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS INC (US) 2026-03-26 US disclosed
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 BOEHRINGER INGELHEIM INT (DE) 2026-03-19 US disclosed
EP-3983081-B1 AMINOPYRIMIDINE AMIDE AUTOPHAGY INHIBITORS AND METHODS OF USE THEREOF DECIPHERA PHARMACEUTICALS LLC (US) 2026-03-11 EP disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 US disclosed
WO-2004085433-A2 POSITIVE ALLOSTERIC MODULATORS OF THE NICOTINIC ACETYLCHOLINE RECEPTOR PHARMACIA & UPJOHN COMPANY LLC (US) 2004-10-07 WO disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 CHIRON CORPORATION 2004-07-15 US disclosed
WO-2004037791-A1 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2004-05-06 WO disclosed
US-4801717-A PLANT GROWTH REGULATORS ROUSSEL UCLAF (FR) 1989-01-31 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 (5 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 TDP1 3492/4885ATM 3490/4885MAPT 4824/4885
US-20040138273-A1 Carbocycle based inhibitors of glycogen synthase kinase 3 GSK3B, GSK3A, GSKIP TDP1 630/4885ATM 506/4885MAPT 594/4885
US-20260078127-A1 HETEROBICYCLIC AMIDES AS INHIBITORS OF CD38 CD38, CD22, CD79B TDP1 2127/4885ATM 4220/4885MAPT 4832/4885
US-12589156-B2 Benzimidazole and benzimidazolone based protac compounds for the targeted degradation of leucine rich repeat kinase 2 (LRRK2) LRRK2, SNCA, PARK7 TDP1 3310/4885ATM 246/4885MAPT 250/4885
US-20260085066-A1 LEUCINE RICH REPEAT KINASE 2 (LRRK2) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE LRRK2, PARK7, NEDD4 TDP1 1719/4885ATM 535/4885MAPT 180/4885

“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.