SCHEMBL7577615

SCHEMBL7577615

O=Nc1cnn2c(O)ccnc12

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 4/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
RAB9A P51151 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CLK4 Q9HAZ1 2/20 0.33
MAP2K1 Q02750 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
HPGD P15428 1/20 0.32
HTT P42858 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
SCHEMBL24938786 0.76 KDM4E (0.36) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL19201115 0.73 KDR (0.44) KDM4EALDH1A1CLK4MAP2K1DYRK1B
SCHEMBL14264667 0.72 KDM4E (0.36) KDM4EALDH1A1NPC1RAB9ANPSR1
SCHEMBL4794157 0.65 KDM4E (0.61) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL13990623 0.63 NPC1 (0.54) KDM4EALDH1A1NPC1MAPTRAB9A
SCHEMBL3285821 0.59 KDM4E (0.39) KDM4EALDH1A1NPC1MAPTXBP1
SCHEMBL1333523 0.58 ALDH1A1 (0.49) KDM4EALDH1A1MAPTHPGD
SCHEMBL30786518 0.58 PDE10A (0.34)
SCHEMBL3087121 0.57 ALDH1A1 (0.39) KDM4EALDH1A1NPC1MAPTXBP1
SCHEMBL13263629 0.57 KDM4E (0.37) KDM4EALDH1A1NPC1MAPTXBP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020010966-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES AND DYEING METHOD USING SAID COMPOSITION L'OREAL S.A. (FR) 2002-01-31 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-20020010966-A1 OXIDATION DYEING COMPOSITION FOR KERATIN FIBRES AND DYEING METHOD USING SAID COMPOSITION KRT18, QDPR, CYB5R3 KDM4E 853/4885ALDH1A1 292/4885NPC1 4820/4885

“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.