SCHEMBL3780654

SCHEMBL3780654

CCc1ccc(B(O)O)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.48
LIPG Q9Y5X9 2/20 0.48
TRPA1 O75762 1/20 0.43
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2A6 P11509 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
TAAR1 Q96RJ0 1/20 0.35
PLAU P00749 1/20 0.35
GAA P10253 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
IDO1 P14902 1/20 0.34
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL10134729 0.83 F11 (0.47) LPLLIPGNOS3NOS1NOS2
SCHEMBL3189327 0.83 LPL (0.48) LPLLIPGTRPA1NOS3NOS1
SCHEMBL3785854 0.83 ENPP2 (0.44) LPLLIPGNOS3NOS1RAB9A
SCHEMBL25381438 0.82 GAA (0.33) LPLLIPGTRPA1RAB9ASLC6A2
SCHEMBL3786518 0.81 SKP2 (0.56) LPLLIPGSMN1; SMN2NPC1RAB9A
SCHEMBL2560402 0.79 GABRA1 (0.46) TRPA1CYP1A2RAB9ASLC6A2KDM4E
SCHEMBL27207991 0.77 SLC6A2 (0.44) LPLLIPGCYP1A2SMN1; SMN2SLC6A2
SCHEMBL3790461 0.77 LIPG (0.50) LPLLIPGTRPA1CYP1A2CYP2A6
SCHEMBL13885830 0.77 LPL (0.50) LPLLIPGTRPA1CYP1A2CYP2A6
SCHEMBL7241842 0.77 TRPA1 (0.61) LPLLIPGTRPA1CYP1A2CYP2A6

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 LPL 3816/4885LIPG 3010/4885TRPA1 762/4885

“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.