SCHEMBL3208786

SCHEMBL3208786

COCc1ccc(-c2ccccc2)nc1Cl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.43
HPGD P15428 4/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAPT P10636 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
GAA P10253 1/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
TSHR P16473 2/20 0.37
ATM Q13315 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6492705 0.77 MEN1 (0.38) L3MBTL1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL12427075 0.76 HPGD (0.59) L3MBTL1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL3210688 0.74 MEN1 (0.43) L3MBTL1HPGDRAB9ASMN1; SMN2ALDH1A1
SCHEMBL6826695 0.74 MEN1 (0.35) L3MBTL1HPGDRAB9ASMN1; SMN2NPC1
SCHEMBL15595871 0.71 TUBB4A (0.51) HPGDRAB9ANPC1NPSR1MAPT
SCHEMBL8325450 0.70 TUBB4A (0.40) L3MBTL1HPGDRAB9ANPC1NPSR1
SCHEMBL23949334 0.68 KDM4E (0.39) HPGDRAB9ANPC1NPSR1MAPT
SCHEMBL3222389 0.68 IDO1 (0.52) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT
SCHEMBL25442970 0.68 TUBB4A (0.42) HPGDRAB9ANPC1NPSR1MAPT
SCHEMBL3199778 0.68 NPC1 (0.58) L3MBTL1RAB9ASMN1; SMN2NPC1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273885-B2 Fluoroboron compound having aromatic ring or salt thereof, and method for producing compound having cyclic ether-fused aromatic ring using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-25 US disclosed
US-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 US disclosed
EP-2062901-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING BY USING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-05-27 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-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME FLI1, AFF1, MLLT3 L3MBTL1 1224/4885HPGD 4739/4885RAB9A 276/4885

“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.