SCHEMBL3786142

SCHEMBL3786142

Nc1ccc(Sc2ccccc2)cc1B(O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GCK P35557 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAOA P21397 3/20 0.40
MAOB P27338 3/20 0.40
MCL1 Q07820 2/20 0.39
BCL2 P10415 1/20 0.39
HTR2C P28335 2/20 0.39
HTR6 P50406 1/20 0.39
SLC6A4 P31645 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
ANXA2 P07355 1/20 0.37
S100A10 P60903 1/20 0.37
CTSK P43235 1/20 0.36
MAPK1 P28482 2/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 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
SCHEMBL3799830 0.86 MAOA (0.43) GCKALDH1A1HPGDMAOAMAOB
SCHEMBL3781718 0.80 ALDH1A1 (0.43) ALDH1A1HPGDMAOAMAOBMCL1
SCHEMBL3781341 0.77 MCL1 (0.36) MCL1HTR2CSLC6A4KMT2A
SCHEMBL30398364 0.77 MAOA (0.47) GCKALDH1A1HPGDMAOAMAOB
SCHEMBL6366825 0.77 MAOA (0.47) GCKALDH1A1HPGDMAOAMAOB
SCHEMBL3784204 0.76 ALDH1A1 (0.43) ALDH1A1HPGDMAOAMAOBMCL1
SCHEMBL11354311 0.76 GCK (0.47) GCKALDH1A1HPGDMAOAMAOB
SCHEMBL20727283 0.76 BCL2 (0.50) GCKALDH1A1HPGDMAOAMAOB
SCHEMBL10728850 0.73 ALDH1A1 (0.53) ALDH1A1HPGDMAOAMAOBMCL1
SCHEMBL3789220 0.73 GCK (0.42) GCKALDH1A1MAOAMCL1HTR2C

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 GCK 4190/4885ALDH1A1 4339/4885HPGD 2790/4885

“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.