SCHEMBL5230947

SCHEMBL5230947

Cc1ccc(C=Nc2cnn(CCO)c2N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 4/20 0.44
GAA P10253 4/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
USP2 O75604 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HPGD P15428 2/20 0.40
MAPT P10636 3/20 0.39
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
PTGS2 P35354 2/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL5655235 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EGAASMN1; SMN2USP2
SCHEMBL4783087 0.82 MAPT (0.48) ALDH1A1KDM4EMAPTGRIN2DGRIN3B
SCHEMBL5228305 0.80 NPC1 (0.46) ALDH1A1KDM4EGAASMN1; SMN2USP2
SCHEMBL5228289 0.80 NPC1 (0.46) ALDH1A1KDM4EGAASMN1; SMN2USP2
SCHEMBL5655023 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL5655026 0.80 ALDH1A1 (0.42) ALDH1A1KDM4EGAASMN1; SMN2MEN1
SCHEMBL14587873 0.78 MAPT (0.36) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL1436714 0.74 CYP1A2 (0.36)
SCHEMBL14587874 0.73 GAA (0.46) ALDH1A1KDM4EGAAUSP2MEN1
Hydrochloric Acid SCHEMBL5277328 0.72 CYP1A2 (0.35)

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
EP-1817379-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS The Procter and Gamble Company (US) 2007-08-15 EP disclosed
US-20070033742-A1 Pyrazole azomethines and colorants containing these compounds PROCTER & GAMBLE COMPANY, THE 2007-02-15 US disclosed
WO-2006060564-A2 PYRAZOLE AZOMETHINES AND COLORANTS CONTAINING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2006-06-08 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 (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-20070033742-A1 Pyrazole azomethines and colorants containing these compounds KRT18, NOX5, TUBB3 ALDH1A1 193/4885KDM4E 1607/4885GAA 3856/4885

“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.