SCHEMBL6335374

SCHEMBL6335374

COc1ccc(NC(=O)c2nc(-c3ccc(SCC(=O)O)cc3)sc2-c2ccccc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.54
▸ PKM P14618 3/20 0.49
▸ ALOX5 P09917 1/20 0.48
▸ GCK P35557 1/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ MAPT P10636 6/20 0.47
▸ ALDH1A1 P00352 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ HTT P42858 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ LMNA P02545 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ NFKB2 Q00653 1/20 0.47
▸ RELA Q04206 1/20 0.47
▸ PTGDR2 Q9Y5Y4 2/20 0.46

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
SCHEMBL6326257 0.89 MAPT (0.51) STAT3PKMRAB9AMAPTALDH1A1
SCHEMBL6329116 0.87 MAPT (0.51) PKMRAB9AMAPTALDH1A1MEN1
SCHEMBL6325802 0.85 LMNA (0.46) PKMRAB9ANPC1MAPTALDH1A1
SCHEMBL6327448 0.84 STAT3 (0.51) STAT3PKMALOX5RAB9ANPC1
SCHEMBL6330513 0.83 L3MBTL1 (0.55) PKMALOX5MAPTALDH1A1KMT2A
SCHEMBL6328831 0.81 PPARA (0.57) STAT3PKMALOX5RAB9ANPC1
SCHEMBL6330961 0.81 STAT3 (0.47) STAT3PKMALOX5RAB9ANPC1
SCHEMBL6334826 0.79 MAPT (0.49) ALOX5MAPTALDH1A1TDP1POLB
SCHEMBL6328043 0.78 STAT3 (0.47) STAT3PKMRAB9ANPC1MAPT
Trifluoroacetic Acid SCHEMBL6337264 0.78 DGAT1 (0.51) RAB9ANPC1MAPTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity BAYER PHARMACEUTICALS CORPORATION 2005-01-20 — — 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-20050014805-A1 Phenyl substituted 5-membered nitrogen containing heterocycles for the treatment of obesity GPR119, EGLN3, PC STAT3 384/4885PKM 1242/4885ALOX5 612/4885

“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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