SCHEMBL4468871

SCHEMBL4468871

Nc1ccc2cc(O)ccc2n1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLAU P00749 2/20 0.63
BACE1 P56817 13/20 0.59
NCK1 P16333 1/20 0.59
ESR1 P03372 1/20 0.55
ESR2 Q92731 1/20 0.55
NCF1 P14598 5/20 0.53
NOS2 P35228 1/20 0.50
CTSD P07339 1/20 0.46

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
Bromide SCHEMBL23412828 0.98 PLAU (0.61) PLAUBACE1NCK1ESR1ESR2
Trifluoroacetic Acid SCHEMBL23412843 0.85 BACE1 (0.53) PLAUBACE1NCK1ESR1ESR2
Trifluoroacetic Acid SCHEMBL30074372 0.85 BACE1 (0.53) PLAUBACE1NCK1ESR1ESR2
SCHEMBL30499285 0.84 BACE1 (0.57) PLAUBACE1NCK1ESR2NCF1
SCHEMBL11973788 0.84 BACE1 (0.57) PLAUBACE1NCK1ESR2NCF1
SCHEMBL483970 0.78 ESR2 (0.55) ESR1ESR2
SCHEMBL30503638 0.77 PLAU (1.00) PLAUBACE1NCK1NCF1NOS2
SCHEMBL3412309 0.77 PLAU (1.00) PLAUBACE1NCK1NCF1NOS2
SCHEMBL1060994 0.77 ESR2 (0.59) PLAUESR1ESR2
SCHEMBL29522954 0.77 ESR2 (0.59) PLAUESR1ESR2

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-2265677-B1 CORROSION DETECTION PRODUCT AND METHOD BATTELLE MEMORIAL INSTITUTE (US) 2019-05-15 EP claimed
EP-1157029-B1 OLIGOPEPTIDE DERIVATIVES FOR THE ELECTROCHEMICAL MEASUREMENT OF PROTEASE ACTIVITY PENTAPHARM AG (CH) 2005-12-28 EP claimed
EP-1157029-A1 OLIGOPEPTIDE DERIVATIVES FOR THE ELECTROCHEMICAL MEASUREMENT OF PROTEASE ACTIVITY Pentapharm AG (CH) 2001-11-28 EP claimed
WO-2000050446-A1 OLIGOPEPTIDE DERIVATIVES FOR THE ELECTROCHEMICAL MEASUREMENT OF PROTEASE ACTIVITY PENTAPHARM AG (CH) 2000-08-31 WO claimed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates LYCIA THERAPEUTICS, INC. 2023-05-25 US disclosed
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed
WO-2021105497-A1 SMALL-MOLECULE NADPH OXIDASE 2 INHIBITORS UNIVERSITY OF COPENHAGEN (DK) 2021-06-03 WO disclosed
US-9028562-B2 Dye composition using a 2-hydroxynaphthalene, (acylamino)phenol or quinoline coupler in a fatty-substance-rich medium, dyeing process and device therefor L'OREAL (FR) 2015-05-12 US disclosed
US-9028562-B2 Dye composition using a 2-hydroxynaphthalene, (acylamino)phenol or quinoline coupler in a fatty-substance-rich medium, dyeing process and device therefor L'OREAL (FR) 2015-05-12 US disclosed
EP-1717230-B1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE MSD KK (JP) 2014-08-06 EP disclosed
US-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR L'OREAL (FR) 2014-02-13 US disclosed
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-08-20 US disclosed
US-7521455-B2 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO. LTD. (JP) 2009-04-21 US disclosed
CN-1918128-A Fused ring 4-oxo-pyrimidine derivatives BANYU PHARMA CO LTD (JP) 2007-02-21 CN disclosed
EP-1717230-A1 FUSED-RING 4-OXOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-11-02 EP disclosed
EP-1157029-B1 OLIGOPEPTIDE DERIVATIVES FOR THE ELECTROCHEMICAL MEASUREMENT OF PROTEASE ACTIVITY PENTAPHARM AG (CH) 2005-12-28 EP disclosed
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2005-08-18 US disclosed
EP-1157029-A1 OLIGOPEPTIDE DERIVATIVES FOR THE ELECTROCHEMICAL MEASUREMENT OF PROTEASE ACTIVITY Pentapharm AG (CH) 2001-11-28 EP disclosed
WO-2000050446-A1 OLIGOPEPTIDE DERIVATIVES FOR THE ELECTROCHEMICAL MEASUREMENT OF PROTEASE ACTIVITY PENTAPHARM AG (CH) 2000-08-31 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 (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-20140041133-A1 DYE COMPOSITION USING A 2-HYDROXYNAPHTHALENE, (ACYLAMINO)PHENOL OR QUINOLINE COUPLER IN A FATTY-SUBSTANCE-RICH MEDIUM, DYEING PROCESS AND DEVICE THEREFOR HADHB, HADH, FABP4 PLAU 4225/4885BACE1 1211/4885NCK1 4440/4885
US-20230158155-A1 Cell Surface Receptor Binding Compounds and Conjugates M6PR, ASGR1, IGF2R PLAU 1425/4885BACE1 1645/4885NCK1 2501/4885
US-20050182045-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 PLAU 3078/4885BACE1 2692/4885NCK1 2601/4885
US-20090209562-A1 Fused ring 4-oxopyrimidine derivative HRH4, HRH2, HRH3 PLAU 3078/4885BACE1 2692/4885NCK1 2601/4885

“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.