SCHEMBL6812396

SCHEMBL6812396

COc1cc2sc(C(=O)Nc3nnn[nH]3)c(Sc3ccc(C)cc3C)c2cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
POLB P06746 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PKM P14618 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
PPARG P37231 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NR2E3 Q9Y5X4 1/20 0.34
NCOR2 Q9Y618 1/20 0.34
ICAM1 P05362 1/20 0.34
SELE P16581 1/20 0.34
VCAM1 P19320 1/20 0.34
PTGER3 P43115 1/20 0.33
PIK3CD O00329 1/20 0.33
LMNA P02545 2/20 0.33
CISD2 Q8N5K1 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL7063957 0.90 NPC1 (0.35) MAPTPOLBRXFP1NPC1RAB9A
SCHEMBL4790749 0.86 L3MBTL1 (0.37) MAPTPOLBRXFP1NPC1RAB9A
SCHEMBL6811963 0.86 KDM4E (0.39) POLBPKMNPC1RAB9ASMN1; SMN2
SCHEMBL6817004 0.85 HSD17B10 (0.35) MAPTPOLBRXFP1PKMNPC1
SCHEMBL6817003 0.84 EDNRA (0.41) MAPTPOLBRXFP1SMN1; SMN2PIK3CD
SCHEMBL6812595 0.83 MEN1 (0.33) MAPTPOLBRXFP1NPC1RAB9A
SCHEMBL6808644 0.83 PDGFRA (0.35) MAPTPOLBRXFP1PKMSMN1; SMN2
SCHEMBL6817008 0.83 STING1 (0.36) MAPTRXFP1PKMNPC1RAB9A
SCHEMBL6812764 0.82 AURKB (0.33) MAPTPOLBPKMNPC1RAB9A
SCHEMBL6812307 0.82 KMT2A (0.39) MAPTRXFP1PKMNPC1RAB9A

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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents GOGLIOTTI ROCCO DEAN (US) 2004-12-09 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-20040248953-A1 3-Arylsulfanyl and 3-heteroarylsulfanyl substituted benzo[b]thiophenes as therapeutic agents SULT2A1, SULT1A1, SULT1E1 MAPT 3989/4885POLB 4430/4885RXFP1 966/4885

“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.