SCHEMBL3786148

SCHEMBL3786148

Nc1sc(-c2ccccc2)cc1B(O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.54
ALDH1A1 P00352 5/20 0.54
HPGD P15428 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
ADORA1 P30542 1/20 0.54
IKBKB O14920 2/20 0.53
MAPT P10636 7/20 0.51
GFER P55789 1/20 0.49
ALOX15 P16050 8/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 2/20 0.48
KDM4E B2RXH2 3/20 0.47
LMNA P02545 1/20 0.47
PKM P14618 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL3781726 0.79 HSD17B1 (0.45) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL29953518 0.79 MGLL (0.42) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL3792766 0.74 IKBKB (0.53) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL5491089 0.74 ALDH1A1 (0.58) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL15960089 0.71 GAA (0.75) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL23447125 0.71 CYP1A2 (0.42) ALDH1A1IKBKBMAPTRAB9AKDM4E
SCHEMBL28229746 0.71 GAA (0.55) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL9240578 0.70 ALOX15 (0.55) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL1062225 0.70 GAA (1.00) GAAALDH1A1HPGDMEN1KMT2A
SCHEMBL16750169 0.70 GAA (0.54) GAAALDH1A1HPGDMEN1KMT2A

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 GAA 1755/4885ALDH1A1 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.