SCHEMBL4859644

SCHEMBL4859644

CC(=O)c1ccc2c(c1)Nc1ccccc1O2

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 12/20 0.74
HTR2B P41595 2/20 0.62
HTR7 P34969 1/20 0.62
MEN1 O00255 1/20 0.55
CYBB P04839 1/20 0.55
APP P05067 1/20 0.55
GAA P10253 1/20 0.55
MAPT P10636 1/20 0.55
ALOX15 P16050 1/20 0.55
SNCA P37840 1/20 0.55
KMT2A Q03164 1/20 0.55
NOX3 Q9HBY0 1/20 0.55
NOX4 Q9NPH5 1/20 0.55
NOX1 Q9Y5S8 1/20 0.55
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL30812968 0.85 ALOX5 (1.00) ALOX5HTR2BHTR7MEN1GAA
SCHEMBL2483714 0.85 ALOX5 (1.00) ALOX5HTR2BHTR7MEN1GAA
SCHEMBL27344785 0.83 ALOX5 (0.51) ALOX5HTR2BHTR7MEN1CYBB
SCHEMBL27344712 0.83 ALOX5 (0.51) ALOX5HTR2BHTR7MEN1CYBB
SCHEMBL27344709 0.82 ALOX5 (0.51) ALOX5HTR2BHTR7MEN1CYBB
SCHEMBL1928583 0.80 ALOX5 (0.68) ALOX5HTR2BHTR7MAPTKDM4E
SCHEMBL27345997 0.79 ACE2 (0.50) ALOX5HTR2BHTR7MEN1CYBB
SCHEMBL27344516 0.79 ALOX5 (0.48) ALOX5HTR2BHTR7MEN1CYBB
Phenoxazine SCHEMBL6270610 0.77 ALOX5 (0.77) ALOX5HTR2BHTR7MEN1GAA
SCHEMBL28400911 0.75 ALOX5 (0.83) ALOX5HTR2BHTR7GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023245297-A1 FERROPTOSIS INHIBITORS AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2023-12-28 WO disclosed
US-7384933-B2 Derivatives of 2-hydroxytetrahydrofuran and their use as medicaments SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-06-10 US disclosed
US-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments IPSEN PHARMA S.A.S. (FR) 2005-10-06 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-20050222045-A1 Novel derivatives of 2-hydroxytetrahydrofuran and their use as medicaments CAPN1, MYH10, CAPN9 ALOX5 492/4885HTR2B 2413/4885HTR7 1653/4885

“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.