SCHEMBL6329108

SCHEMBL6329108

Cc1ccc(-c2sc(-c3ccc(SC(C)(C)C(=O)O)cc3)nc2C(=O)Nc2ccc(F)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HIPK4 Q8NE63 3/20 0.40
▸ TP53 P04637 1/20 0.40
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ CXCR2 P25025 1/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ PPARG P37231 1/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ PTPN11 Q06124 1/20 0.38
▸ TDP1 Q9NUW8 2/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ RXFP1 Q9HBX9 2/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ SLC22A12 Q96S37 1/20 0.36

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
SCHEMBL6334770 0.92 XDH (0.43) HIPK4HCRTR1HCRTR2MAPTPPARA
SCHEMBL6335252 0.91 PPARA (0.49) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6335297 0.91 XDH (0.46) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6326381 0.90 TP53 (0.45) HIPK4TP53MAPTLMNAMEN1
SCHEMBL6337259 0.89 HIPK4 (0.40) HIPK4TP53HCRTR1HCRTR2MAPT
SCHEMBL6327314 0.89 TP53 (0.47) TP53MAPTLMNAMEN1KMT2A
SCHEMBL6326299 0.86 XDH (0.47) MAPTLMNAMEN1KMT2APPARA
SCHEMBL6326422 0.86 PPARG (0.46) TP53MAPTMEN1KMT2APPARA
SCHEMBL6330961 0.85 STAT3 (0.47) TP53MAPTLMNAMEN1KMT2A
Trifluoroacetic Acid SCHEMBL6327439 0.84 NPC1 (0.46) TP53MAPTLMNAMEN1KMT2A

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 HIPK4 467/4885TP53 2790/4885HCRTR1 260/4885

“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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