SCHEMBL1025833

SCHEMBL1025833

COc1ccc([N+](=O)[O-])c(I)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ MAPK1 P28482 4/20 0.51
▸ MAPT P10636 7/20 0.48
▸ SMN1; SMN2 Q16637 5/20 0.48
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ HTT P42858 2/20 0.47
▸ AKR1C3 P42330 2/20 0.46
▸ AKR1C2 P52895 2/20 0.46
▸ AKR1B10 O60218 1/20 0.46
▸ AKR1B1 P15121 1/20 0.46
▸ AKR1C4 P17516 1/20 0.46
▸ AKR1C1 Q04828 1/20 0.46
▸ MERTK Q12866 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ RAF1 P04049 1/20 0.44
▸ GFER P55789 1/20 0.44
▸ PAX8 Q06710 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
SCHEMBL29729405 1.00 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL30777879 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL703717 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL25337966 0.83 APP (0.53) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL1662886 0.82 ALDH1A1 (0.65) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL11199415 0.81 ALDH1A1 (0.54) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL16095273 0.81 MAPT (0.67) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL1897174 0.79 ALDH1A1 (0.57) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL4142866 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1
SCHEMBL30686627 0.79 ALDH1A1 (0.58) ALDH1A1MAPK1MAPTSMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963344-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2008-09-03 — — EP claimed
WO-2007071453-A1 ORGANOPHOSPHORIC DERIVATIVES USEFUL AS ANTI-PARASITIC AGENTS UNIVERSITEIT GENT (BE) 2007-06-28 — — WO claimed
US-12528791-B2 Thyroid hormone receptor beta agonist compounds TERNS PHARMACEUTICALS, INC. (US) 2026-01-20 — — US disclosed
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 — — US disclosed
CN-111868037-B Fused cyclic urea derivatives as CRHR2 antagonists 拉夸里亚创药株式会社 2023-10-13 — — CN disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 — — US disclosed
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS CURIS INC (US) 2023-06-22 — — US disclosed
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors Guris, Inc. (US) 2023-01-24 — — US disclosed
US-20220281849-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS TERNS PHARMACEUTICALS, INC. 2022-09-08 — — US disclosed
EP-4017875-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS Terns Pharmaceuticals, Inc. (US) 2022-06-29 — — EP disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
WO-2007027527-A2 ISOINDOLE-IMIDE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2007-03-08 — — WO disclosed
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same CELGENE CORPORATION 2007-03-01 — — US disclosed
CN-1902170-A 1, 2-di (cyclic) substituted benzene compounds EISAI R&D MAN CO LTD (JP) 2007-01-24 — — CN disclosed
US-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives EISAI R&D MANAGEMENT CO., LTD. 2006-12-14 — — US disclosed
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-12-07 — — US disclosed
EP-1698620-A1 BENZENE COMPOUNDS DISUBSTITUTED WITH CYCLIC GROUPS AT THE 1- AND 2-POSITIONS Eisai Co., Ltd. (JP) 2006-09-06 — — EP disclosed
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-24 — — US disclosed
US-6020379-A Position 7 substituted indenyl-3-acetic acid derivatives and amides thereof for the treatment of neoplasia CELL PATHWAYS, INC. (US) 2000-02-01 — — US disclosed
US-3954852-A Indenylacetic acid compounds MERCK & CO., INC. (US) 1976-05-04 — — 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 (9 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-20060281747-A1 1,2-di(cyclic) substituted benzene derivatives CCR10, H1-10, CXCL10 ALDH1A1 309/4885MAPK1 572/4885MAPT 4459/4885
US-12528791-B2 Thyroid hormone receptor beta agonist compounds THRB, THRA, TSHR ALDH1A1 2577/4885MAPK1 2095/4885MAPT 1208/4885
US-20220281849-A1 THYROID HORMONE RECEPTOR BETA AGONIST COMPOUNDS THRB, THRA, TSHR ALDH1A1 3553/4885MAPK1 3046/4885MAPT 2085/4885
US-20230192687-A1 FUSED AMINO PYRIDINE AS HSP90 INHIBITORS HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885MAPK1 810/4885MAPT 215/4885
US-20070049618-A1 Isoindole-imide compounds and compositions comprising and methods of using the same SI, CYP3A5, CYP2D6 ALDH1A1 1081/4885MAPK1 4566/4885MAPT 553/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH ALDH1A1 4726/4885MAPK1 2185/4885MAPT 1623/4885
US-20050261291-A1 1,2-Di(cyclic)substituted benzene compounds CCR10, HRH3, HRH2 ALDH1A1 705/4885MAPK1 690/4885MAPT 2870/4885
US-11560377-B2 Fused amino pyridine as HSP90 inhibitors HSP90B1, HSP90AB1, HSP90AB2P ALDH1A1 2720/4885MAPK1 810/4885MAPT 215/4885
US-20060276465-A1 1,2-di(cyclic) substituted benzene compounds HRH3, CCR10, HRH1 ALDH1A1 617/4885MAPK1 836/4885MAPT 2706/4885

“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.

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