SCHEMBL4297784

SCHEMBL4297784

O=[N+]([O-])c1cc(F)c(Br)cc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.45
PKM P14618 1/20 0.45
CA12 O43570 3/20 0.44
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA9 Q16790 3/20 0.44
MAPK1 P28482 5/20 0.44
GPR35 Q9HC97 3/20 0.44
TTR P02766 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 2/20 0.44
ALOX15 P16050 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL744876 0.92 TDP1 (0.46) TDP1ATMMAPTPKMCA12
SCHEMBL27708019 0.84 GPR35 (0.50) TDP1MAPTCA12CA1CA2
SCHEMBL518140 0.84 GPR35 (0.50) TDP1ATMMAPTCA12CA1
SCHEMBL29740055 0.82 ATM (0.55) TDP1ATMMAPTPKMMAPK1
SCHEMBL14691657 0.82 CA12 (0.48) TDP1MAPTCA12CA1CA2
SCHEMBL8579982 0.82 CA12 (0.48) TDP1MAPTCA12CA1CA2
SCHEMBL310906 0.82 ATM (0.55) TDP1ATMMAPTPKMMAPK1
SCHEMBL7335 0.78 ATM (0.55) TDP1ATMMAPTPKMMAPK1
SCHEMBL2326899 0.78 TDP1 (0.50) TDP1ATMMAPTCA12CA1
SCHEMBL29663529 0.78 ATM (0.55) TDP1ATMMAPTPKMMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4561561-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR Septerna, Inc. (US) 2025-06-04 EP disclosed
WO-2024026076-A2 SUBSTITUTED 3,4-DIHYDROQUINOLINONE INHIBITORS OF TSHR SEPTERNA, INC. (US) 2024-02-01 WO disclosed
CN-117105916-B Benzofuran compound and medical application thereof 希格生科(深圳)有限公司 2024-01-16 CN disclosed
CN-117105916-A Benzofuran compound and medical application thereof 希格生科(深圳)有限公司 2023-11-24 CN disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-9624208-B2 Benzoxazolinone compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME CORP. (US) 2017-04-18 US disclosed
US-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2015-09-10 US disclosed
US-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2015-09-10 US disclosed
US-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS MERCK SHARP & DOHME LLC 2015-09-10 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
US-7514566-B2 Thiazole compounds and methods of use AMGEN, INC. (US) 2009-04-07 US disclosed
EP-1981884-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS Amgen, Inc (US) 2008-10-22 EP disclosed
CN-101200429-A 2-nitro-4,5-dihalogenated phenol and 2-amino-4,5-dihalogenated phenol as well as its salt and method for synthesizing the same SHANGHAI RUIZHI CHEMICAL STUDY (CN) 2008-06-18 CN disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US disclosed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 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 (2 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-20150252034-A1 BENZOXAZOLINONE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS SCN7A, CACNA1E, SCN1A TDP1 1368/4885ATM 4072/4885MAPT 2940/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 TDP1 3338/4885ATM 315/4885MAPT 2718/4885

“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.