SCHEMBL345622

SCHEMBL345622

O=[N+]([O-])c1c(F)cc(F)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
TSHR P16473 2/20 0.38
CA4 P22748 2/20 0.38
HIF1A Q16665 1/20 0.38
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
VCAM1 P19320 1/20 0.35
CYP3A4 P08684 1/20 0.34
CA12 O43570 1/20 0.33
CA7 P43166 1/20 0.33
CA13 Q8N1Q1 1/20 0.33

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
SCHEMBL30168968 1.00 TDP1 (0.39) TDP1ATMALDH1A1CA1CA2
SCHEMBL9126903 0.90 TDP1 (0.41) TDP1ATMALDH1A1CA1CA2
SCHEMBL1994831 0.85 TDP1 (0.41) TDP1ATMALDH1A1CA1CA2
SCHEMBL11797728 0.82 TDP1 (0.45) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL6383702 0.80 GRIN2D (0.39) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL27956814 0.80 ALDH1A1 (0.48) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL10701814 0.80 ALDH1A1 (0.43) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL1149199 0.80 MAPT (0.37) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL26921068 0.80 GRIN2D (0.37) TDP1ATMALDH1A1TSHRHIF1A
SCHEMBL25353394 0.80 GRIN2D (0.42) TDP1ATMALDH1A1HIF1AGRIN2D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US claimed
EP-4695256-A2 ERBB2 INHIBITORS Cogent Biosciences, Inc. (US) 2026-02-18 EP disclosed
US-20250129078-A1 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. 2025-04-24 US disclosed
WO-2024215809-A2 ERBB2 INHIBITORS COGENT BIOSCIENCES, INC. (US) 2024-10-17 WO disclosed
US-12071425-B2 Phenoxy-pyridyl-pyrimidine compounds and methods of use GENENTECH, INC. (US) 2024-08-27 US disclosed
EP-3849664-B1 PHENOXY-PYRIDYL-PYRIMIDINE COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2024-06-12 EP disclosed
WO-2024067819-A1 PIPERIDINE-CONTAINING POLYCYCLIC DERIVATIVE MODULATOR, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海翰森生物医药科技有限公司 2024-04-04 WO disclosed
WO-2023125935-A1 BENZOPYRIDINE DERIVATIVE REGULATOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翰森生物医药科技有限公司 2023-07-06 WO disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
US-11691970-B2 Pyrazolopyridinone compounds JANSSEN PHARMACEUTICA NV (BE) 2023-07-04 US disclosed
WO-2007014011-A2 N-(ARYLAMINO)-SULFONAMIDE INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. (US) 2007-02-01 WO disclosed
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders AXYS PHARMACEUTICALS, INC. (US) 2003-11-13 US disclosed
US-6562854-B2 Antiinflammatory agents; respiratory system disorders AXYS PHARMACEUTICALS, INC. 2003-05-13 US disclosed
EP-0865421-B1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LTD (GB) 2002-03-27 EP disclosed
US-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity Celera Corporation 2001-12-20 US disclosed
EP-1019382-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS, INC. (US) 2000-07-19 EP disclosed
US-6048872-A DIETETICS; ANTIDIABETIC AGENTS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS GLAXO WELLCOME INC. (US) 2000-04-11 US disclosed
WO-1998045275-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING DISEASES ASSOCIATED WITH SERINE PROTEASE, PARTICULARLY TRYPTASE, ACTIVITY AXYS PHARMACEUTICALS CORPORATION (US) 1998-10-15 WO disclosed
EP-0865421-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1998-09-23 EP disclosed
WO-1997021665-A1 ARYLETHANOLAMINE DERIVATIVES AND THEIR USE AS AGONISTS OF ATYPICAL BETA-ADRENOCEPTORS GLAXO GROUP LIMITED (GB) 1997-06-19 WO 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-20010053779-A1 Novel compounds and compositions for treating diseases asociated with protease activity CMA1, CPA3, TPSG1 TDP1 1691/4885ATM 3791/4885ALDH1A1 1860/4885
US-12071425-B2 Phenoxy-pyridyl-pyrimidine compounds and methods of use XBP1, ERN1, ESR2 TDP1 68/4885ATM 2172/4885ALDH1A1 2362/4885
US-20250129078-A1 ERBB2 INHIBITORS ERBB2, ERBB3, EGFR TDP1 2988/4885ATM 1614/4885ALDH1A1 4593/4885
US-20030212120-A1 Compositions comprising a substituted benzimidazole useful for treating immunomediated inflammatory disorders CMA1, TPSG1, TPSD1 TDP1 2602/4885ATM 3360/4885ALDH1A1 729/4885
US-11691970-B2 Pyrazolopyridinone compounds FGFR1, FGFR3, FGFR2 TDP1 1242/4885ATM 231/4885ALDH1A1 1418/4885

“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.