SCHEMBL76729

SCHEMBL76729

O=[N+]([O-])c1ccc(CBr)cc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 2/20 0.43
HIF1A Q16665 1/20 0.43
VCAM1 P19320 1/20 0.41
PTGES O14684 1/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 3/20 0.37
CYP3A4 P08684 1/20 0.37
LMNA P02545 2/20 0.37
CYP19A1 P11511 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
RECQL P46063 1/20 0.37
ESPL1 Q14674 1/20 0.37
CASP6 P55212 1/20 0.37
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
CTSK P43235 1/20 0.36

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
SCHEMBL29490181 1.00 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL27796872 0.86 TDP1 (0.55) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL960995 0.85 ALDH1A1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL29494110 0.85 ALDH1A1 (0.56) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL1117240 0.82 TSHR (0.50) TDP1ATMALDH1A1POLBTSHR
SCHEMBL17786309 0.82 ATM (0.50) TDP1ATMALDH1A1HIF1APOLB
SCHEMBL31455558 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL146624 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL11439528 0.81 TDP1 (0.58) TDP1ATMALDH1A1HIF1AVCAM1
SCHEMBL571701 0.81 ATM (0.58) TDP1ATMALDH1A1HIF1AVCAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF SIRONAX LTD (KY) 2026-03-19 US disclosed
EP-4620951-A1 MEMANTINE UREA DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN PREPARATION OF MEDICAMENT FOR TREATING SOLUBLE EPOXIDE ENZYME-MEDIATED DISEASES Shenyang Pharmaceutical University (CN) 2025-09-24 EP disclosed
CN-111675626-B Ionone alkaloid derivative and medical application thereof 天津医科大学 2025-04-01 CN disclosed
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
WO-2024147009-A1 GPR35 MODULATORS ThirtyFiveBio Limited (GB) 2024-07-11 WO disclosed
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS CENTRE NAT RECH SCIENT (FR) 2024-05-30 US disclosed
WO-2024104411-A1 MEMANTINE UREA DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN PREPARATION OF MEDICAMENT FOR TREATING SOLUBLE EPOXIDE ENZYME-MEDIATED DISEASES 沈阳药科大学 2024-05-23 WO disclosed
CN-117430589-A 2-aminopyrimidine compound or salt thereof, and preparation method and application thereof 励缔(杭州)医药科技有限公司 2024-01-23 CN disclosed
CN-116947740-A Hydroxamic acid compound containing urea structure, preparation method thereof and application of hydroxamic acid compound in preparation of HDAC and sEH dual inhibitors 沈阳药科大学 2023-10-27 CN disclosed
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof BIOSPLICE THERAPEUTICS, INC. (US) 2023-08-01 US disclosed
US-5538976-A ANTICARCINOGENIC AGENTS AND ENZYME INHIBITORS FOR AROMATASE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1996-07-23 US disclosed
EP-0640595-A1 NOVEL SUBSTITUTED TERTIARY AMINO COMPOUND OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1995-03-01 EP disclosed
CN-1079962-A New substituted tertiary amine compound and salt thereof YAMANOUCHI PHARMA CO LTD (JP) 1993-12-29 CN disclosed
EP-0411103-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK PATENT GmbH (DE) 1991-02-06 EP disclosed
WO-1990009616-A1 NON-LINEAR OPTICAL MATERIALS WITH VICINAL DONOR OR ACCEPTOR GROUPS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-08-23 WO disclosed
US-4486355-A INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-12-04 US disclosed
US-4385070-A CYCLOPROPANE DERIVATIVES AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1983-05-24 US disclosed
EP-0016513-B1 ESTERS OF HALOGENATED SUBSTITUTED CYCLOPROPANOIC ACIDS, THEIR PREPARATION AND USE AS INSECTICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-06-23 EP disclosed
EP-0032121-A2 Substituted tetrafluorobenzyl alcohols and halides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-07-15 EP disclosed
EP-0016513-A2 Esters of halogenated substituted cyclopropanoic acids, their preparation and use as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1980-10-01 EP 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 (3 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-20260078130-A1 NAMPT MODULATORS, PREPARATIONS, AND USES THEREOF NAMPT, NNMT, SARM1 TDP1 3638/4885ATM 4139/4885ALDH1A1 2719/4885
US-11713320-B2 5-heteroaryl substituted indazole-3-carboxamides and preparation and use thereof DYRK1A, WNT3, DYRK3 TDP1 589/4885ATM 838/4885ALDH1A1 3709/4885
US-20240174589-A1 PHOTOREDOX RADICAL BENZYLATION PROCESS H1-2, H1-3, H1-0 TDP1 3051/4885ATM 2826/4885ALDH1A1 860/4885

“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.