SCHEMBL3784206

SCHEMBL3784206

OB(O)c1c(-c2ccccc2)csc1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.44
MGLL Q99685 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
GRM5 P41594 1/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 3/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PRKCZ Q05513 1/20 0.35
BCL2L1 Q07817 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2B6 P20813 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL3799837 0.79 ALDH1A1 (0.47) BACE1MGLLCA1CA2GRM5
SCHEMBL6036925 0.71 BACE1 (0.41) BACE1ALDH1A1SMN1; SMN2IDO1HPGD
SCHEMBL2844082 0.70 ALDH1A1 (0.48) BACE1MGLLCA1CA2ALDH1A1
Phosphine SCHEMBL28718427 0.69 BACE1 (0.41) BACE1ALDH1A1SMN1; SMN2IDO1HPGD
SCHEMBL27900520 0.69 ALDH1A1 (0.43) BACE1ALDH1A1SMN1; SMN2IDO1HPGD
SCHEMBL3788059 0.69 MGLL (0.38) BACE1MGLLCA1CA2ALDH1A1
SCHEMBL3804717 0.69 MAPT (0.44) MGLLCA1CA2ALDH1A1SMN1; SMN2
SCHEMBL3792808 0.69 ALDH1A1 (0.41) BACE1MGLLCA1CA2ALDH1A1
SCHEMBL4813819 0.69 BACE1 (0.67) BACE1ALDH1A1SMN1; SMN2HPGDMEN1
SCHEMBL12912887 0.68 BACE1 (0.40) BACE1ALDH1A1SMN1; SMN2MEN1LMNA

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 BACE1 925/4885MGLL 1314/4885CA1 3273/4885

“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.