SCHEMBL517401

SCHEMBL517401

COc1cc(N)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.50
TDP1 Q9NUW8 4/20 0.49
ALDH1A1 P00352 6/20 0.46
CYP3A4 P08684 4/20 0.46
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TSHR P16473 3/20 0.44
CYP1A2 P05177 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
GFER P55789 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
SCHEMBL29785411 1.00 HTT (0.50) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL3647381 0.93 HTT (0.50) HTTTDP1ALDH1A1CYP3A4KDM4E
Hydrochloric Acid SCHEMBL2206406 0.91 GAA (0.49) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL11555366 0.87 HTT (0.55) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL6375580 0.87 HTT (0.55) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL5330357 0.86 HTT (0.50) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL6815710 0.85 HTT (0.58) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL4799531 0.85 HTT (0.58) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL8089043 0.85 ALDH1A1 (0.52) HTTTDP1ALDH1A1CYP3A4KDM4E
SCHEMBL6370714 0.83 ALDH1A1 (0.50) TDP1ALDH1A1CYP3A4KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN claimed
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
CN-117430967-A High-dispersity permanent orange RN and preparation method and application thereof 济宁阳光化学有限公司 2024-01-23 CN disclosed
US-20230303526-A1 IRAK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2023-09-28 US disclosed
CN-116789642-A Tri-aromatic heterocyclic piperazine compound for inducing tumor cell to generate meta death and application thereof 华东师范大学 2023-09-22 CN disclosed
CN-113166103-B EGFR inhibitor and application thereof 江苏先声药业有限公司 2022-12-16 CN disclosed
CN-113166103-A EGFR inhibitor and application thereof 江苏先声药业有限公司 2021-07-23 CN disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
WO-2020216371-A1 EGFR INHIBITOR AND APPLICATION THEREOF 江苏先声药业有限公司 2020-10-29 WO disclosed
EP-0187520-B1 WATER-SOLUBLE DYE IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-01-24 EP disclosed
US-4777248-A Water-soluble non-reactive triazinyl mono-azo dye for ink jet printing IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-10-11 US disclosed
EP-0280156-A2 Process for the preparation of acetoacetylarylamides-heteroarylamides respectively of deactived aromatic compounds HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-31 EP disclosed
US-4726844-A LIGHTFASTNESS CANON KABUSHIKI KAISHA (JP) 1988-02-23 US disclosed
EP-0187520-A2 Water-soluble dye IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-07-16 EP disclosed
EP-0159291-A1 Ink composition for the ink-jet printing process CIBA-GEIGY AG (CH) 1985-10-23 EP disclosed
US-4079052-A Diazopigments containing pyridine derivatives CIBA-GEIGY CORPORATION (US) 1978-03-14 US disclosed
US-3957860-A SULFAMIC ACID CIBA-GEIGY AG (CH) 1976-05-18 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-20230303526-A1 IRAK DEGRADERS AND USES THEREOF IRAK2, IRAK3, IRAK1 HTT 2464/4885TDP1 236/4885ALDH1A1 2776/4885

“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.