SCHEMBL6812595

SCHEMBL6812595

CCc1ccccc1Sc1c(C(=O)Nc2nnn[nH]2)sc2cc(OC)c(OC)cc12

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
RXFP1 Q9HBX9 2/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33
TUBB2B Q9BVA1 1/20 0.33

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) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL6817003 0.87 EDNRA (0.41) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL6817008 0.85 STING1 (0.36) MEN1KMT2ASMN1; SMN2RXFP1STING1
SCHEMBL4790749 0.85 L3MBTL1 (0.37) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL6812396 0.83 MAPT (0.37) POLBSMN1; SMN2RXFP1NPSR1STING1
SCHEMBL6812848 0.83 EDNRA (0.47) MEN1KMT2ATSHRRXFP1TUBB4A
SCHEMBL6817004 0.83 HSD17B10 (0.35) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL7061980 0.82 RET (0.40) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL6808644 0.82 PDGFRA (0.35) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL6808614 0.82 POLB (0.40) MEN1KMT2APOLBTSHRSMN1; SMN2

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 MEN1 3650/4885KMT2A 2968/4885POLB 4430/4885

“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.