SCHEMBL6334763

SCHEMBL6334763

Cc1cc(SC(C)(C)C(=O)O)ccc1-c1nc(C(=O)Nc2ccc(C3CCCCC3)cc2)c(-c2ccccc2)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ NPY1R P25929 1/20 0.38
▸ NPY2R P49146 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ STAT3 P40763 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARD Q03181 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ NR3C1 P04150 2/20 0.36
▸ DGAT1 O75907 2/20 0.36
▸ TP53 P04637 2/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL6335158 0.95 MEN1 (0.37) MAPTMEN1ALDH1A1NPY1RNPY2R
SCHEMBL6330428 0.86 MAPT (0.42) MAPTMEN1KMT2APPARGPPARA
SCHEMBL6325625 0.85 MAPT (0.45) MAPTMEN1ALDH1A1RAB9AKMT2A
SCHEMBL6336407 0.85 MAPT (0.40) MAPTMEN1ALDH1A1NPY1RNPY2R
SCHEMBL6329843 0.85 MAPT (0.41) MAPTMEN1ALDH1A1KMT2ASTAT3
SCHEMBL6332861 0.85 TRPV1 (0.42) MAPTMEN1RAB9AKMT2APPARA
SCHEMBL6329868 0.83 PPARA (0.40) MAPTMEN1ALDH1A1NPY1RNPY2R
SCHEMBL6333144 0.81 PPARA (0.48) MAPTMEN1ALDH1A1NPY1RNPY2R
SCHEMBL6337259 0.81 HIPK4 (0.40) MAPTMEN1RAB9AKMT2ATP53
Trifluoroacetic Acid SCHEMBL6334767 0.81 DGAT1 (0.47) MAPTMEN1ALDH1A1RAB9AKMT2A

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 MAPT 3022/4885MEN1 3157/4885ALDH1A1 991/4885

“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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