SCHEMBL6327387

SCHEMBL6327387

CCCCCn1c(-c2ccc(SC(C)(C)C(=O)O)cc2)nc(C(=O)Nc2ccc(Br)cc2C)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
LMNA P02545 2/20 0.37
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.37
ALDH1A1 P00352 2/20 0.37
PPARD Q03181 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
TRPV4 Q9HBA0 1/20 0.35
DHODH Q02127 1/20 0.35
CNR2 P34972 1/20 0.35
NR1I2 O75469 1/20 0.34
TP53 P04637 2/20 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
SCHEMBL6329990 0.99 NPY1R (0.38) NPY1RNPY2RLMNAPPARGPPARA
SCHEMBL6325775 0.93 NPC1 (0.37) PPARGPPARAPPARDTRPV4CNR2
SCHEMBL6327220 0.92 RORC (0.38) LMNAPPARGPPARAALDH1A1PPARD
SCHEMBL6333132 0.91 MAPT (0.37) LMNAPPARGPPARAALDH1A1PPARD
SCHEMBL6329041 0.90 PPARG (0.45) PPARGPPARAALDH1A1PPARDMEN1
SCHEMBL6330468 0.90 PPARG (0.37) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL6328165 0.90 PPARG (0.47) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL6328743 0.89 PPARG (0.38) PPARGPPARAPPARDMEN1KMT2A
SCHEMBL6329921 0.89 PPARG (0.46) PPARGPPARAALDH1A1PPARDMEN1
SCHEMBL6328398 0.89 PPARG (0.42) PPARGPPARAPPARDMEN1KMT2A

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 NPY1R 148/4885NPY2R 161/4885LMNA 2130/4885

“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.