SCHEMBL5008477

SCHEMBL5008477

COc1ccc(CCCC(N)=O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 3/20 0.53
▸ MKNK1 Q9BUB5 1/20 0.48
▸ MKNK2 Q9HBH9 1/20 0.48
▸ FFAR4 Q5NUL3 1/20 0.46
▸ GRM2 Q14416 1/20 0.45
▸ SIRT6 Q8N6T7 1/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ PKM P14618 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ ALOX15 P16050 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ BLM P54132 1/20 0.42

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 SCHEMBL5012100 0.98 NNMT (0.51) NNMTMKNK1MKNK2FFAR4GRM2
SCHEMBL2865551 0.92 NNMT (0.54) NNMTMKNK1MKNK2GRM2SIRT6
SCHEMBL27513663 0.88 FFAR4 (0.58) NNMTFFAR4MEN1KMT2AKDM4E
SCHEMBL2371616 0.82 NNMT (0.57) NNMTMKNK1MKNK2SIRT6MEN1
SCHEMBL29590839 0.82 NNMT (0.57) NNMTMKNK1MKNK2SIRT6MEN1
SCHEMBL6069860 0.81 P4HTM (0.58) NNMTFFAR4MEN1KMT2ALMNA
SCHEMBL29886594 0.81 P4HTM (0.58) NNMTFFAR4MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL29629381 0.81 NNMT (0.56) NNMTMKNK1MKNK2SIRT6MEN1
SCHEMBL6269874 0.80 CYP2A6 (0.44) NNMTMKNK1MKNK2
SCHEMBL5756628 0.80 CYP4A11 (0.45) NNMTFFAR4GRM2MEN1KMT2A

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 NNMT 2977/4885MKNK1 2495/4885MKNK2 3154/4885

“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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