SCHEMBL1126793

SCHEMBL1126793

O=[N+]([O-])c1cccc2c(F)cccc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.75
ALDH1A1 P00352 5/20 0.59
POLB P06746 1/20 0.50
CTSB P07858 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GAA P10253 1/20 0.50
GPR35 Q9HC97 1/20 0.48
HSPB1 P04792 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NOS1 P29475 1/20 0.44
VCAM1 P19320 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PNMT P11086 1/20 0.44
ATM Q13315 1/20 0.44
TSHR P16473 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
SCHEMBL29662561 0.88 TDP1 (0.61) TDP1ALDH1A1CTSBNCOA1NCOA3
SCHEMBL536316 0.88 TDP1 (0.61) TDP1ALDH1A1CTSBNCOA1NCOA3
SCHEMBL29475175 0.87 TDP1 (1.00) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL57166 0.87 TDP1 (1.00) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL28093598 0.84 TDP1 (0.95) TDP1ALDH1A1POLBCTSBNCOA1
Methyl Alcohol SCHEMBL28304524 0.80 TDP1 (0.86) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL12925755 0.80 TDP1 (0.57) TDP1ALDH1A1POLBNCOA1NCOA3
SCHEMBL26059132 0.80 TDP1 (0.62) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL26059133 0.80 TDP1 (0.62) TDP1ALDH1A1POLBCTSBNCOA1
SCHEMBL29355089 0.78 TDP1 (0.54) TDP1ALDH1A1GPR35HSPB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100410256-C Optical diamine monomer containing di-dehydrated-hexitol unit and process for preparing same UNIV TSINGHUA (CN) 2008-08-13 CN claimed
CN-1320031-C Polyamide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2007-06-06 CN claimed
CN-1702097-A Optical polyimide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
CN-1702095-A Polyamide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
CN-1702071-A Optical diamine monomer containing di-dehydrated-hexitol unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
CN-115677516-B Diamine monomer with novel structure, polymer material based on diamine monomer, and preparation method and application of diamine monomer 中山大学 2025-01-24 CN disclosed
CN-115677516-A Diamine monomer with novel structure, polymer material based on monomer, and preparation method and application of polymer material 中山大学 2023-02-03 CN disclosed
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] PHENEX PHARMACEUTICALS AG (DE) 2019-05-28 US disclosed
CN-104603118-B Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators of the orphan nuclear receptor ROR γ 菲尼克斯药品股份公司 2017-10-03 CN disclosed
CN-107007597-A It is used as the thiazole of orphan nuclear receptor ROR γ instrumentalities through formamide or sulfonamide substitutions and the pharmaceutical applications of related derivatives 菲尼克斯药品股份公司 2017-08-04 CN disclosed
US-9452168-B2 Pyrrole antifungal agents F2G LTD (GB) 2016-09-27 US disclosed
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS F2G LTD (GB) 2015-08-27 US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 US disclosed
US-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF BRISTOL-MYERS SQUIBB COMPANY 2005-06-02 US disclosed
EP-1458723-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristols-Myers Squibb Company (US) 2004-09-22 EP disclosed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 US disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 US disclosed
WO-2003062241-A1 FUSED HETEROCYCLIC SUCCINIMIDECOMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-31 WO disclosed
EP-1319007-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-06-18 EP disclosed
WO-2002024702-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 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 (6 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-20050119228-A1 METHOD FOR THE PREPARATION OF FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF SUCNR1, SHBG, FSHR TDP1 4457/4885ALDH1A1 1888/4885POLB 2878/4885
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885ALDH1A1 3219/4885POLB 3542/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885ALDH1A1 3219/4885POLB 3542/4885
US-20150238500-A1 PYRROLE ANTIFUNGAL AGENTS FOXM1, PYCR1, ARG1 TDP1 903/4885ALDH1A1 219/4885POLB 3827/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TDP1 4323/4885ALDH1A1 3219/4885POLB 3542/4885
US-10301272-B2 Carboxamide or sulfonamide substituted thiazoles and related derivatives as modulators for the orphan nuclear receptor ROR[γ] RORA, RORB, RORC TDP1 4594/4885ALDH1A1 671/4885POLB 3196/4885

“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.