SCHEMBL5260846

SCHEMBL5260846

COc1ccc(-c2nc3ncccn3c2-c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
ALDH1A1 P00352 5/20 0.59
RAB9A P51151 3/20 0.59
NPC1 O15118 2/20 0.59
GAA P10253 4/20 0.53
MAPT P10636 5/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PIK3CA P42336 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
AKT1 P31749 1/20 0.44
AKT2 P31751 1/20 0.44
APP P05067 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44

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
SCHEMBL5261723 0.89 MAPT (0.61) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5266113 0.89 MAPT (0.59) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5265675 0.85 KDM4E (0.49) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5261828 0.85 KDM4E (0.49) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5263830 0.83 ALDH1A1 (0.67) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL7215555 0.83 KDM4E (0.60) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5262166 0.83 APP (0.45) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5261780 0.82 ALDH1A1 (0.65) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL5260198 0.82 ALDH1A1 (0.73) KDM4EALDH1A1RAB9ANPC1GAA
SCHEMBL7222717 0.82 KDM4E (0.59) KDM4EALDH1A1RAB9ANPC1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1660500-B1 SUBSTITUTED IMIDAZOPYRIMIDINES FOR THE PREVENTION AND TREATMENT OF CANCER S A L V A T LAB SA (ES) 2007-12-12 EP disclosed
US-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2006-08-24 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-20060189631-A1 Substituted imidazopyrimidines for the prevention and treatment of cancer BRCA1, CCNA1, DPYD KDM4E 3211/4885ALDH1A1 8/4885RAB9A 3442/4885

“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.