Sugi Predict

Sugi Predict / Compounds / SCHEMBL1002018

SCHEMBL1002018

SCHEMBL1002018

Cc1cc2c([N+](=O)[O-])cccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.52
▸ HRH4 Q9H3N8 1/20 0.51
▸ NOS1 P29475 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ MAPK1 P28482 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 4/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ TSHR P16473 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ MGAM O43451 1/20 0.43
▸ SI P14410 1/20 0.43
▸ MGAM2 Q2M2H8 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ RAB9A P51151 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
SCHEMBL30265931 1.00 TDP1 (0.52) TDP1HRH4NOS1MAPTMAPK1
Indole SCHEMBL25323976 0.86 HRH4 (0.47) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL15829455 0.82 HRH4 (0.48) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL29812003 0.79 TDP1 (0.52) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL12778290 0.79 TDP1 (0.52) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL2156865 0.79 HRH4 (0.48) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL260149 0.79 HRH4 (0.48) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL11997384 0.77 TDP1 (0.48) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL14981555 0.76 HRH4 (0.46) TDP1HRH4NOS1MAPTMAPK1
SCHEMBL7943394 0.76 HRH4 (0.61) TDP1HRH4NOS1MAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114457145-B Linkers, constructs, methods and uses for characterizing target polynucleotide sequencing 成都齐碳科技有限公司 2023-08-11 — — CN claimed
WO-2023143247-A1 LINKER FOR CHARACTERIZING SEQUENCING OF TARGET POLYNUCLEOTIDE, CONSTRUCT, METHOD, AND USE 成都齐碳科技有限公司 2023-08-03 — — WO claimed
CN-114457145-A Linkers, constructs, methods, and uses for characterizing sequencing of target polynucleotides 成都齐碳科技有限公司 2022-05-10 — — CN claimed
WO-2025074096-A1 P97 (VCP) ATPASE INHIBITORS Turbine Simulated Cell Technologies Ltd (GB) 2025-04-10 — — WO disclosed
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2024-10-22 — — US disclosed
CN-114457145-B Linkers, constructs, methods and uses for characterizing target polynucleotide sequencing 成都齐碳科技有限公司 2023-08-11 — — CN disclosed
WO-2023143247-A1 LINKER FOR CHARACTERIZING SEQUENCING OF TARGET POLYNUCLEOTIDE, CONSTRUCT, METHOD, AND USE 成都齐碳科技有限公司 2023-08-03 — — WO disclosed
CN-114457145-A Linkers, constructs, methods, and uses for characterizing sequencing of target polynucleotides 成都齐碳科技有限公司 2022-05-10 — — CN disclosed
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-14 — — US disclosed
CN-112500426-A Pyrimidine boric acid derivative or pharmaceutically acceptable salt thereof, and preparation method and application thereof 苏州艾和医药科技有限公司 2021-03-16 — — CN disclosed
CN-110770211-A α unsaturated amide compound 协和麒麟株式会社 2020-02-07 — — CN disclosed
WO-2006075139-A2 NOVEL PROCESS FOR THE PREPARATION OF SUBSTITUTED INDOLES ASTRAZENECA AB (SE) 2006-07-20 — — WO disclosed
EP-1432701-B1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI IRELAND LTD (IE) 2005-12-21 — — EP disclosed
EP-1432701-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. CHEMICAL and PHARMACEUTICAL COMPANY (CH) 2004-06-30 — — EP disclosed
US-20030181446-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-09-25 — — US disclosed
US-20030162777-A1 Novel N-acylated heterocycles RECORDATI S.A. 2003-08-28 — — US disclosed
WO-2003031436-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF DISORDERS OF THE URINARY TRACT RECORDATI S.A. (CH) 2003-04-17 — — WO disclosed
EP-1276721-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHYL CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2003-01-22 — — EP disclosed
WO-2001081305-A2 METHYLATION OF INDOLE COMPOUNDS USING DIMETHY CARBONATE F. HOFFMANN-LA ROCHE AG (CH) 2001-11-01 — — WO disclosed
US-6255306-B1 PSYCHOLOGICAL DISORDERS MACOR JOHN E (US) 2001-07-03 — — 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 (4 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-20030162777-A1 Novel N-acylated heterocycles HTR1A, HTR1D, HTR1E TDP1 2288/4885HRH4 208/4885NOS1 1320/4885
US-20220112160-A1 SMALL MOLECULE DIRECT INHIBITORS OF KEAP1-NRF2 PROTEIN-PROTEIN INTERACTION KEAP1, NFE2L2, HMOX1 TDP1 4531/4885HRH4 2084/4885NOS1 261/4885
US-20030181446-A1 Novel N-acylated heterocycles HTR1A, HTR1E, HTR2C TDP1 1678/4885HRH4 471/4885NOS1 1363/4885
US-12122742-B2 Small molecule direct inhibitors of KEAP1-NRF2 protein-protein interaction KEAP1, NFE2L2, HMOX1 TDP1 4531/4885HRH4 2084/4885NOS1 261/4885

“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.