SCHEMBL536316

SCHEMBL536316

O=[N+]([O-])c1ccc(F)c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.61
CTSB P07858 5/20 0.60
ALDH1A1 P00352 6/20 0.53
AR P10275 1/20 0.50
VCAM1 P19320 1/20 0.48
ATM Q13315 1/20 0.48
HIF1A Q16665 1/20 0.47
HPRT1 P00492 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CASP6 P55212 2/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GAA P10253 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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 1.00 TDP1 (0.61) TDP1CTSBALDH1A1ARVCAM1
SCHEMBL1126793 0.88 TDP1 (0.75) TDP1CTSBALDH1A1VCAM1ATM
SCHEMBL7788656 0.87 TDP1 (0.80) TDP1CTSBALDH1A1ARHPRT1
SCHEMBL57166 0.77 TDP1 (1.00) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL29475175 0.77 TDP1 (1.00) TDP1CTSBALDH1A1CYP3A4ALOX15
SCHEMBL26059132 0.76 TDP1 (0.62) TDP1CTSBALDH1A1VCAM1HIF1A
SCHEMBL26059133 0.76 TDP1 (0.62) TDP1CTSBALDH1A1VCAM1HIF1A
SCHEMBL1351778 0.76 MAPT (0.56) TDP1CTSBALDH1A1VCAM1ATM
SCHEMBL3606794 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHPRT1
SCHEMBL8722948 0.75 TDP1 (0.61) TDP1CTSBALDH1A1ARHPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925498-A High-pressure-bearing branched epoxy resin plugging material and oil-based drilling fluid 西南石油大学 2023-10-24 CN claimed
CN-115232010-A Method for preparing 1-fluoro-4-nitronaphthalene through microchannel reaction 中国科学技术大学先进技术研究院 2022-10-25 CN claimed
EP-1976495-A2 COMPOUNDS ACTING ON THE SEROTONIN TRANSPORTER Aarhus Universitet (DK) 2008-10-08 EP claimed
CN-100410256-C Optical diamine monomer containing di-dehydrated-hexitol unit and process for preparing same UNIV TSINGHUA (CN) 2008-08-13 CN claimed
WO-2007076875-A2 COMPOUNDS ACTING ON THE SEROTONIN TRANSPORTER AARHUS UNIVERSITET (DK) 2007-07-12 WO claimed
CN-1320031-C Polyamide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2007-06-06 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-1702095-A Polyamide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
CN-1702097-A Optical polyimide containing isosorbide unit and process for preparing same UNIV TSINGHUA (CN) 2005-11-30 CN claimed
CN-116354891-B Naphthyl phenyl ether compound, and preparation method and application thereof 河南省锐达医药科技有限公司 2025-01-07 CN disclosed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
WO-2024141052-A1 ESTROGEN-RECEPTOR MODULATOR AND USE THEREOF 江苏威凯尔医药科技有限公司 2024-07-04 WO disclosed
CN-118271284-A Estrogen receptor modulators and uses thereof 江苏威凯尔医药科技有限公司 2024-07-02 CN disclosed
US-4423126-A FORMING NAPHTHOQUINONEIMIDE DYE EASTMAN KODAK COMPANY (US) 1983-12-27 US disclosed
EP-0095899-A2 Color-forming carboxamidonaphthalene dye precursor compounds, photographic materials containing them and corresponding carboximide dyes EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-12-07 EP disclosed
US-4200588-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC THE UPJOHN COMPANY (US) 1980-04-29 US disclosed
US-4130561-A Polycycloanilines THE UPJOHN COMPANY (US) 1978-12-19 US disclosed
US-4120899-A HYPOLIPEDEMIC, ANTIATHEROSCLEROTIC THE UPJOHN COMPANY (US) 1978-10-17 US disclosed
US-4036977-A HYPOLIPEDEMIC AND ANTIATHEROSCLEROTIC PROPERTIES THE UPJOHN COMPANY (US) 1977-07-19 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 (1 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-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 TDP1 428/4885CTSB 1195/4885ALDH1A1 2543/4885

“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.