SCHEMBL3789458

SCHEMBL3789458

CSc1ccc(Cl)c(SC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 2/20 0.40
TSHR P16473 1/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 6/20 0.38
MAPT P10636 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
SCN1A P35498 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SCN2A Q99250 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
SCHEMBL3793217 0.81 PDE7A (0.41) KMT2AHSD17B10HTTTSHRHPGD
SCHEMBL1145370 0.80 AHR (0.43) KMT2AHSD17B10HTTTSHRHPGD
SCHEMBL18922609 0.78 KMT2A (0.43) KMT2AHSD17B10HPGDSMN1; SMN2KDM4E
SCHEMBL1145559 0.78 TP53 (0.48) KMT2AHSD17B10HTTTSHRHPGD
SCHEMBL29144903 0.77 MCL1 (0.39) HSD17B10TSHRHPGDKDM4EMAPT
SCHEMBL6886003 0.76 HSD17B10 (0.41) KMT2AHSD17B10HTTTSHRHPGD
SCHEMBL24104448 0.74 ATM (0.44) KMT2ASMN1; SMN2KDM4EMAPTALDH1A1
SCHEMBL10607408 0.74 HSD17B10 (0.50) KMT2AHSD17B10HTTTSHRHPGD
SCHEMBL926886 0.74 CYP3A4 (0.52) HSD17B10HTTTSHRHPGDKDM4E
SCHEMBL5747646 0.74 HSD17B10 (0.52) KMT2AHSD17B10TSHRALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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 (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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 KMT2A 1474/4885HSD17B10 1100/4885HTT 3090/4885

“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.