SCHEMBL3462835

SCHEMBL3462835

COc1ccc([N+](=O)[O-])cc1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 1.00
HTT P42858 3/20 0.77
MAPT P10636 3/20 0.60
RECQL P46063 1/20 0.60
DUSP3 P51452 1/20 0.60
PTPN5 P54829 1/20 0.60
PTPN11 Q06124 1/20 0.60
CYP3A4 P08684 4/20 0.59
TSHR P16473 1/20 0.59
ALDH1A1 P00352 6/20 0.56
LMNA P02545 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
THRB P10828 2/20 0.55
GAA P10253 1/20 0.55
CYP19A1 P11511 1/20 0.53
PTGS2 P35354 1/20 0.53
PKM P14618 1/20 0.50
ALOX15 P16050 1/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49

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
SCHEMBL269845 1.00 TDP1 (1.00) TDP1HTTMAPTRECQLDUSP3
Hydrochloric Acid SCHEMBL21772081 0.98 TDP1 (0.96) TDP1HTTMAPTRECQLDUSP3
Ammonia Solution, Strong SCHEMBL10880861 0.98 TDP1 (0.96) TDP1HTTMAPTRECQLDUSP3
Aniline SCHEMBL22169236 0.91 TDP1 (0.82) TDP1HTTMAPTRECQLDUSP3
SCHEMBL6639856 0.89 TDP1 (0.79) TDP1HTTMAPTRECQLDUSP3
SCHEMBL222283 0.87 HTT (1.00) TDP1HTTMAPTRECQLDUSP3
SCHEMBL31297153 0.85 HTT (0.96) TDP1HTTMAPTRECQLDUSP3
SCHEMBL11296547 0.85 TDP1 (0.73) TDP1HTTMAPTRECQLDUSP3
SCHEMBL4969734 0.84 TDP1 (0.71) TDP1HTTMAPTRECQLDUSP3
Nitrogen SCHEMBL18840092 0.84 HTT (0.93) TDP1HTTMAPTRECQLDUSP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
EP-4686757-A1 INHIBITORS OF EXPRESSION AND/OR FUNCTION e-therapeutics PLC (GB) 2026-02-04 EP disclosed
WO-2025065344-A1 ANTENNA, USER EQUIPMENT, WINDOW AND VEHICLE GOERTEK INC. (CN) 2025-04-03 WO disclosed
WO-2024064091-A1 NOVEL PYRIMIDINE COMPOUND AS KINASE INHIBITORS WITH BIOLOGICAL ACTIVITIES ON EGFR MUTANTS Advenchen Pharmaceuticals, LLC (US) 2024-03-28 WO disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
WO-2022159454-A1 BET SUBFAMILY INHIBITORS AND METHODS USING SAME BAYLOR COLLEGE OF MEDICINE (US) 2022-07-28 WO disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO disclosed
EP-1066288-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2001-01-10 EP disclosed
WO-1999042465-A2 SULPHONAMIDE DERIVATIVES BEING 5-HT6 RECEPTOR ANTAGONISTS AND PROCESS FOR THEIR PREPARATION SMITHKLINE BEECHAM PLC (GB) 1999-08-26 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 (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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 TDP1 2548/4885HTT 854/4885MAPT 2014/4885

“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.