SCHEMBL5009740

SCHEMBL5009740

NCc1ccnc(-c2noc(=O)[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 11/20 0.46
KMO O15229 1/20 0.45
ALDH1A1 P00352 1/20 0.40
LOX P28300 3/20 0.40
LOXL3 P58215 1/20 0.40
KRAS P01116 2/20 0.36
ADH5 P11766 1/20 0.35
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
DPP4 P27487 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
SCHEMBL2336517 0.82 KMO (0.42) KMOALDH1A1KRASADH5
SCHEMBL7539758 0.78 ALDH1A1 (0.41) KMOALDH1A1ADH5
SCHEMBL5009737 0.75 KDM5C (0.46) KMOALDH1A1
SCHEMBL2338601 0.73 KMO (0.45) KMOALDH1A1ADH5
SCHEMBL1935613 0.73 KMO (0.48) KMOALDH1A1ADH5PKM
SCHEMBL10086351 0.73 ALDH1A1 (0.56) ALDH1A1ADH5
SCHEMBL352525 0.73 LOXL2 (0.61) LOXL2LOXLOXL3
SCHEMBL2335008 0.72 KMO (0.44) KMOALDH1A1ADH5
Hydrochloric Acid SCHEMBL1272214 0.72 ALDH1A1 (0.55) ALDH1A1ADH5DPP4
SCHEMBL2340435 0.71 ALDH1A1 (0.42) KMOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP claimed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 US claimed
EP-1884513-A1 PYRAZOLE COMPOUND AND THERAPEUTIC AGENT FOR DIABETES COMPRISING THE SAME Japan Tobacco, Inc. (JP) 2008-02-06 EP disclosed
US-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents JAPAN TOBACCO INC. (JP) 2007-02-08 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-20070032529-A1 Pyrazole compounds and their use as antidiabetes agents PYGL, GYS2, AGL LOXL2 3298/4885KMO 3132/4885ALDH1A1 1278/4885

“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.