SCHEMBL5800459

SCHEMBL5800459

Cc1cccc2c1ccc[n+]2[O-]

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.48
CYP2A6 P11509 3/20 0.48
MAPT P10636 3/20 0.43
HTT P42858 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
RECQL P46063 1/20 0.35
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
FTO Q9C0B1 1/20 0.33
NPC1 O15118 1/20 0.32
S1PR4 O95977 1/20 0.32
S1PR1 P21453 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AHR P35869 1/20 0.31

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
SCHEMBL5784218 0.85 MAPT (0.53) CYP1A2CYP2A6MAPTHTTSMN1; SMN2
SCHEMBL1295362 0.77 MAPT (0.35) MAPTHTTKDM4EHSP90AA1HSD17B10
SCHEMBL19121786 0.77 CYP2A6 (0.50) CYP1A2CYP2A6MAPTHTTSMN1; SMN2
SCHEMBL5993713 0.76 CYP1A2 (0.44) CYP1A2CYP2A6MAPTHTTSMN1; SMN2
SCHEMBL12706607 0.76 CYP1A2 (0.47) CYP1A2CYP2A6MAPTHTTALDH1A1
SCHEMBL1261956 0.75 ALDH1A1 (0.48) MAPTHTTALDH1A1KDM4EHSP90AA1
SCHEMBL1747611 0.75 MAPT (0.46) MAPTHTTALDH1A1KDM4EPOLB
SCHEMBL30873742 0.75 MAPT (0.46) MAPTHTTALDH1A1KDM4EPOLB
SCHEMBL13219654 0.75 CYP1A2 (0.48) CYP1A2CYP2A6MAPTHTTSMN1; SMN2
SCHEMBL12751165 0.75 MAPT (0.34) MAPTHTTKDM4EHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed
CN-117384154-A Pyrroloquinolinone compound, synthesis method and application thereof 广州医科大学 2024-01-12 CN disclosed
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERSITY 2023-04-27 US disclosed
EP-4093400-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF The Trustees of Princeton University (US) 2022-11-30 EP disclosed
WO-2021151062-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF THE TRUSTEES OF PRINCETON UNIVERISTY (US) 2021-07-29 WO disclosed
US-7491722-B2 Pyridazin-3(2H)-one derivatives LABORATORIOS ALMIRALL S.A. (ES) 2009-02-17 US disclosed
US-20060111369-A1 Synthesis, characterization and biological action of optically active isomers of floxacins SOMBERG JOHN C 2006-05-25 US disclosed
WO-2006052264-A2 SYNTHESIS, CHARACTERIZATION AND BIOLOGICAL ACTION OF OPTICALLY ACTIVE ISOMERS OF FLOXACINS SOMBERG JOHN CHARIN (US) 2006-05-18 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-20060111369-A1 Synthesis, characterization and biological action of optically active isomers of floxacins TNNI3, TNNC1, TNNT2 CYP1A2 3237/4885CYP2A6 1470/4885MAPT 4751/4885
US-20230128402-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PAH, ALDH2, IDH2 CYP1A2 329/4885CYP2A6 1025/4885MAPT 4685/4885

“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.