SCHEMBL4286520

SCHEMBL4286520

CC(=O)c1ccc2c(c1)NC(=O)CS2

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.75
ALDH1A1 P00352 3/20 0.72
LMNA P02545 2/20 0.72
HPGD P15428 2/20 0.61
POLB P06746 4/20 0.58
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
KMT2A Q03164 3/20 0.55
MAPT P10636 4/20 0.54
PKM P14618 1/20 0.54
MEN1 O00255 2/20 0.54
CYBB P04839 1/20 0.54
APP P05067 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
SNCA P37840 1/20 0.54
NOX3 Q9HBY0 1/20 0.54
NOX4 Q9NPH5 1/20 0.54
NOX1 Q9Y5S8 1/20 0.54
MAOA P21397 2/20 0.51

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
SCHEMBL8786021 0.89 MAOB (0.61) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL23781330 0.86 HTT (0.77) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL30270528 0.86 HTT (1.00) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL619633 0.86 HTT (1.00) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL15176755 0.84 HTT (0.75) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL5913175 0.84 HTT (0.69) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL750896 0.84 ALDH1A1 (1.00) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL30248834 0.84 ALDH1A1 (1.00) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL4652613 0.82 HTT (0.76) HTTALDH1A1LMNAHPGDPOLB
SCHEMBL2204998 0.81 HTT (0.69) HTTALDH1A1LMNAHPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 WO disclosed
EP-1419155-B1 PIPERIDINE DERIVATIVES AS ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2006-11-08 EP disclosed
US-20040198756-A1 Medicaments SMITHKLINE BEECHAM PLC (GB) 2004-10-07 US disclosed
EP-0463945-B1 Chalcone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-12-27 EP disclosed
US-5179091-A Anti-inflammatory; antioxidant ADIR ET COMPAGNIE (FR) 1993-01-12 US disclosed
EP-0463945-A1 Chalcone derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1992-01-02 EP 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 (2 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-20040198756-A1 Medicaments PIGO, PSAP, CD68 HTT 4369/4885ALDH1A1 1066/4885LMNA 3982/4885
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R HTT 3165/4885ALDH1A1 2708/4885LMNA 2152/4885

“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.