SCHEMBL6325802

SCHEMBL6325802

O=C(O)CSc1ccc(-c2nc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(-c3ccccc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ PPARA Q07869 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MTTP P55157 5/20 0.43
▸ FZD7 O75084 1/20 0.42
▸ TDP1 Q9NUW8 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ NR1H4 Q96RI1 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ TNF P01375 1/20 0.42
▸ NOD1 Q9Y239 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ PKM P14618 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41

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
SCHEMBL6329116 0.87 MAPT (0.51) LMNAMAPTRAB9AMEN1KMT2A
SCHEMBL6326257 0.87 MAPT (0.51) LMNAMAPTRAB9AMEN1KMT2A
SCHEMBL6335374 0.85 STAT3 (0.54) LMNAHTTMAPTRAB9ANPC1
SCHEMBL6329876 0.84 MAPT (0.44) LMNAHTTPPARAMAPTRAB9A
Trifluoroacetic Acid SCHEMBL6337264 0.83 DGAT1 (0.51) LMNAMAPTRAB9ANPC1MEN1
SCHEMBL6334826 0.79 MAPT (0.49) MAPTTDP1L3MBTL1KDM4EALDH1A1
SCHEMBL6330411 0.79 PPARA (0.69) PPARAMAPTMEN1KMT2APPARG
SCHEMBL6335252 0.78 PPARA (0.49) LMNAPPARAMAPTNPC1MEN1
SCHEMBL6334499 0.77 PPARA (0.47) LMNAPPARAMAPTNPC1MEN1
SCHEMBL6330513 0.77 L3MBTL1 (0.55) LMNAHTTMAPTKMT2ATDP1

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 LMNA 2130/4885HTT 40/4885PPARA 49/4885

“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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