SCHEMBL5201045

SCHEMBL5201045

COCCn1ncc(N=O)c1N

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
MPO P05164 1/20 0.32
MAOA P21397 1/20 0.32
HCAR3 P49019 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LRRK2 Q5S007 1/20 0.30

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
Hydrochloric Acid SCHEMBL6760437 0.83
SCHEMBL15198091 0.81 POLB (0.41)
SCHEMBL28180244 0.81 MAOB (0.39) MAOBALDH1A1MPOMAOAHCAR3
SCHEMBL1436714 0.78 CYP1A2 (0.36)
SCHEMBL5498897 0.78 HTT (0.39) ALDH1A1LMNAKMT2A
SCHEMBL33797 0.78 ALDH1A1 (0.37) MAOBTDP1ALDH1A1LMNAALOX15
SCHEMBL5232884 0.77
Hydrochloric Acid SCHEMBL5277328 0.77 CYP1A2 (0.35)
Hydrochloric Acid SCHEMBL6282164 0.76 ALDH1A1 (0.36) MAOBTDP1ALDH1A1LMNAALOX15
Hydrochloric Acid SCHEMBL5414502 0.76 ALDH1A1 (0.36) MAOBTDP1ALDH1A1LMNAALOX15

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 MAOB 1151/4885TDP1 2174/4885ALDH1A1 193/4885

“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.