SCHEMBL3781341

SCHEMBL3781341

CSc1ccc(N)c(B(O)O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
PLK1 P53350 1/20 0.34
GAA P10253 1/20 0.33
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
IDO1 P14902 1/20 0.32
SLC6A4 P31645 1/20 0.31
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
SCN1A P35498 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
GRIN2B Q13224 1/20 0.31
GRIN2C Q14957 1/20 0.31
GRIN3A Q8TCU5 1/20 0.31
SCN2A Q99250 1/20 0.31

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
SCHEMBL5047332 0.83 MCL1 (0.36) MCL1NOS3NOS1AKR1C3AKR1C2
SCHEMBL3789220 0.79 GCK (0.42) MCL1GAASLC6A4HTR2AHTR2C
SCHEMBL3786142 0.77 GCK (0.44) MCL1KMT2ASLC6A4HTR2C
SCHEMBL31050804 0.77 MCL1 (0.50) MCL1NOS3NOS1PLK1GAA
SCHEMBL3788111 0.77 MCL1 (0.37) MCL1NOS3NOS1PLK1GAA
SCHEMBL913855 0.75 TDP1 (0.46) MCL1NOS3NOS1GAAKMT2A
SCHEMBL6098080 0.74 ALOX15 (0.50) MCL1NOS3NOS1GAAAKR1C3
SCHEMBL28730410 0.73 ALDH1A1 (0.43) MCL1GAAKMT2AHSD17B10
SCHEMBL14537914 0.72 MCL1 (0.46) MCL1NOS3NOS1PLK1AKR1C3
SCHEMBL389284 0.72 MAPT (0.38) MCL1NOS3NOS1PLK1GAA

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 MCL1 3100/4885NOS3 1935/4885NOS1 3102/4885

“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.