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) —
SCHEMBL33797 0.78 ALDH1A1 (0.37) MAOBTDP1ALDH1A1LMNAALOX15
SCHEMBL5498897 0.78 HTT (0.39) ALDH1A1LMNAKMT2A
SCHEMBL5232884 0.77 — —
Hydrochloric Acid SCHEMBL5277328 0.77 CYP1A2 (0.35) —
Hydrochloric Acid SCHEMBL5414502 0.76 ALDH1A1 (0.36) MAOBTDP1ALDH1A1LMNAALOX15
Hydrochloric Acid SCHEMBL6282164 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.

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