SCHEMBL6811249

SCHEMBL6811249

CCOc1ccc2sc(C(=O)Nc3nnn[nH]3)c(SCCc3ccccc3)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.40
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
EDNRA P25101 1/20 0.37
NPC1 O15118 5/20 0.36
RAB9A P51151 5/20 0.36
PKM P14618 1/20 0.36
OPRK1 P41145 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
USP2 O75604 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
POLB P06746 3/20 0.35
NMT1 P30419 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL6812831 0.92 POLB (0.42) MAPTKMT2AMEN1LMNANPC1
SCHEMBL4768325 0.84 FFAR1 (0.36) MAPTLMNA
SCHEMBL6808614 0.84 POLB (0.40) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL10387401 0.84 MPO (0.40) MAPTKMT2ASMN1; SMN2TP53EDNRA
SCHEMBL4768395 0.82 CSNK1D (0.37) MAPTKMT2ASMN1; SMN2LMNATP53
SCHEMBL4793364 0.82 POLB (0.39) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL4772093 0.81 EDNRA (0.51) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6811772 0.78 EDNRA (0.48) MAPTKMT2AMEN1TP53EDNRA
SCHEMBL10372978 0.78 MPO (0.52) MAPTKMT2AMEN1SMN1; SMN2LMNA
SCHEMBL6568264 0.77 SENP5 (0.49) EDNRAUSP2

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 3989/4885KMT2A 2968/4885MEN1 3650/4885

“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.