SCHEMBL98882

SCHEMBL98882

Cc1ccc([N+](=O)[O-])c2ccccc12

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.61
CTSB P07858 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
HSD17B10 Q99714 2/20 0.57
CYP1A2 P05177 1/20 0.54
ALDH1A1 P00352 4/20 0.53
TSHR P16473 5/20 0.52
AR P10275 1/20 0.50
GAA P10253 1/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
S1PR4 O95977 1/20 0.46
MAPT P10636 1/20 0.46
S1PR1 P21453 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP3A4 P08684 3/20 0.46

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
SCHEMBL5728848 0.88 TDP1 (0.75) TDP1CTSBSMN1; SMN2MEN1KMT2A
SCHEMBL7788656 0.87 TDP1 (0.80) TDP1CTSBSMN1; SMN2MEN1KMT2A
SCHEMBL17553044 0.81 TDP1 (0.53) TDP1CTSBSMN1; SMN2MEN1KMT2A
SCHEMBL31727 0.81 HSD17B10 (0.55) TDP1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL28307480 0.80 TDP1 (0.57) TDP1CTSBSMN1; SMN2MEN1KMT2A
SCHEMBL5052440 0.80 HPRT1 (0.65) TDP1CTSBSMN1; SMN2MEN1KMT2A
SCHEMBL1561998 0.79 TSHR (0.60) TDP1CTSBSMN1; SMN2MEN1KMT2A
SCHEMBL5252374 0.79 TDP1 (0.61) TDP1CTSBSMN1; SMN2MEN1KMT2A
SCHEMBL10531193 0.77 TSHR (0.65) TDP1SMN1; SMN2MEN1KMT2AHSD17B10
SCHEMBL5255439 0.77 TSHR (0.65) TDP1CTSBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025043967-A1 PREPARATION METHOD FOR AND USE OF NANOPOROUS CARBON MATERIAL HAVING CONTINUOUS STRUCTURE 东南大学 2025-03-06 WO claimed
CN-118515261-A Preparation method of nano porous carbon material with continuous structure and application of nano porous carbon material as heat insulation material 东南大学 2024-08-20 CN claimed
CN-117088357-A Preparation method and application of nano porous carbon material with continuous structure 东南大学 2023-11-21 CN claimed
CN-110231206-A The pre-treating method of persistence organic pollutant in a kind of quick measurement Atmospheric particulates 北京化工大学 2019-09-13 CN claimed
EP-2094272-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS Portola Pharmaceuticals, Inc. (US) 2009-09-02 EP claimed
WO-2008036843-A2 NITROGEN CONTAINING SUBSTITUTED HETEROCYCLES AS PLATELET ADP RECEPTOR INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2008-03-27 WO claimed
CN-118515261-A Preparation method of nano porous carbon material with continuous structure and application of nano porous carbon material as heat insulation material 东南大学 2024-08-20 CN disclosed
CN-117088357-A Preparation method and application of nano porous carbon material with continuous structure 东南大学 2023-11-21 CN disclosed
US-11773057-B2 Naphthalenesulfonamide compound, preparation method, and application CHINA PHARMACEUTICAL UNIVERSITY (CN) 2023-10-03 US disclosed
US-11396496-B2 1,4-substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2022-07-26 US disclosed
CN-112367983-A 1,4 substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction 伊利诺伊大学评议会 2021-02-12 CN disclosed
US-20210017135-A1 1,4-SUBSTITUTED ISOQUINOLINE INHIBITORS OF KEAP1/NRF2 PROTEIN-PROTEIN INTERACTION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-01-21 US disclosed
US-20210017135-A1 1,4-SUBSTITUTED ISOQUINOLINE INHIBITORS OF KEAP1/NRF2 PROTEIN-PROTEIN INTERACTION THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2021-01-21 US disclosed
WO-1994012163-A1 2-NITROARYL AND 2-CYANOARYL COMPOUNDS AS REGULATORS OF NITRIC OXIDE SYNTHASE ABBOTT LABORATORIES (US) 1994-06-09 WO disclosed
US-5138098-A Catalytic actlation using complexing agent AMOCO CORPORATION (US) 1992-08-11 US disclosed
US-4482438-A ELECTROLYSIS ANODIC OXIDATION, REDOX SYSTEMS/ ELECTROLYSIS, ANODIC OXIDATION, REDOX SYSTEMS NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-11-13 US disclosed
EP-0102762-A2 Method of performing a chemical reaction NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1984-03-14 EP disclosed
EP-0023584-B1 PROCESS FOR THE PREPARATION OF TRIFLUOROMETHYL NAPHTHALENES BAYER AG (DE) 1983-01-26 EP disclosed
US-4331613-A Process for the preparation of trifluoromethylnaphthalenes BAYER AKTIENGESELLSCHAFT (DE) 1982-05-25 US disclosed
EP-0023584-A1 Process for the preparation of trifluoromethyl naphthalenes BAYER AG (DE) 1981-02-11 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-11773057-B2 Naphthalenesulfonamide compound, preparation method, and application NFE2L2, KEAP1, NFE2 TDP1 4816/4885CTSB 462/4885SMN1; SMN2 4116/4885
US-11396496-B2 1,4-substituted isoquinoline inhibitors of KEAP1/NRF2 protein-protein interaction KEAP1, NFE2L2, NFE2 TDP1 3589/4885CTSB 4289/4885SMN1; SMN2 1670/4885
US-20210017135-A1 1,4-SUBSTITUTED ISOQUINOLINE INHIBITORS OF KEAP1/NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, NFE2 TDP1 3589/4885CTSB 4289/4885SMN1; SMN2 1670/4885

“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.