SCHEMBL6563795

SCHEMBL6563795

O=[N+]([O-])c1cc(O)ccc1-n1cccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.59
ESR2 Q92731 1/20 0.59
GRIK1 P39086 2/20 0.50
GRIA1 P42261 2/20 0.50
GRIA2 P42262 2/20 0.50
GRIA3 P42263 2/20 0.50
GRIA4 P48058 2/20 0.50
GRIK2 Q13002 2/20 0.50
GRIK3 Q13003 2/20 0.50
GRIK4 Q16099 2/20 0.50
GRIK5 Q16478 2/20 0.50
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 3/20 0.47
LMNA P02545 2/20 0.47
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
GPR35 Q9HC97 1/20 0.41

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
SCHEMBL30657601 1.00 ESR1 (0.59) ESR1ESR2GRIK1GRIA1GRIA2
SCHEMBL6677996 0.81 GAA (0.57) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL28850718 0.80 GRIA1 (0.56) ESR1ESR2GRIK1GRIA1GRIA2
SCHEMBL29126960 0.79 GRIK1 (0.50) ESR1ESR2GRIK1GRIA1GRIA2
SCHEMBL29721807 0.79 TSHR (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL27420986 0.79 GRIK1 (0.50) ESR1ESR2GRIK1GRIA1GRIA2
SCHEMBL11824811 0.79 MAPK1 (0.59) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL9044798 0.79 TSHR (0.56) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL20816305 0.79 TDP1 (0.50) ESR1ESR2GRIK1GRIA1GRIA2
SCHEMBL3790185 0.79 MAPT (0.55) GRIK1GRIA1GRIA2GRIA3GRIA4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117143104-A Pyrrolo [1,2-a ] quinoxaline compound synthesized from nitropyrrole aromatic hydrocarbon and carbon dioxide and synthesis method thereof 陕西科技大学 2023-12-01 CN claimed
EP-1304994-B1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-10-20 EP claimed
EP-1304994-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP claimed
WO-2002009661-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO claimed
CN-117143104-A Pyrrolo [1,2-a ] quinoxaline compound synthesized from nitropyrrole aromatic hydrocarbon and carbon dioxide and synthesis method thereof 陕西科技大学 2023-12-01 CN disclosed
US-10973819-B2 Small molecules inhibitors of RAD51 THE UNIVERSITY OF CHICAGO (US) 2021-04-13 US disclosed
US-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-03-21 US disclosed
EP-1304994-B1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KGAA (DE) 2004-10-20 EP disclosed
EP-1304994-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-02 EP disclosed
WO-2002009661-A1 PYRROLYL-SUBSTITUTED NITROPHENOLS USED AS DIRECT COLORANTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 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 (2 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-20190083491-A1 SMALL MOLECULES INHIBITORS OF RAD51 RAD51, MRE11, DDB1 ESR1 2108/4885ESR2 2558/4885GRIK1 4617/4885
US-10973819-B2 Small molecules inhibitors of RAD51 RAD51, MRE11, DDB1 ESR1 2108/4885ESR2 2558/4885GRIK1 4617/4885

“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.