SCHEMBL3222389

SCHEMBL3222389

COCc1ccccc1Cl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[NaH]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.52
PNMT P11086 1/20 0.42
MAOB P27338 2/20 0.41
MAOA P21397 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NR4A2 P43354 1/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 0.39
SENP7 Q9BQF6 2/20 0.39
SENP6 Q9GZR1 2/20 0.39
HTR1A P08908 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38

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
SCHEMBL30377 0.90 IDO1 (0.61) IDO1PNMTMAOBMAOATAAR1
Phosphine SCHEMBL20719631 0.88 IDO1 (0.59) IDO1PNMTMAOBMAOATAAR1
SCHEMBL3220315 0.78 SMN1; SMN2 (0.42) TAAR1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL3207748 0.77 L3MBTL1 (0.43) MAPTL3MBTL1SLC6A2SLC6A4SLC6A3
SCHEMBL3221093 0.76 IDO1 (0.56) IDO1MEN1KMT2AMAPTL3MBTL1
SCHEMBL28089473 0.74 IDO1 (0.53) IDO1PNMTMAOBMAOATAAR1
SCHEMBL15834275 0.74 IDO1 (0.41) IDO1PNMTMEN1KMT2A
SCHEMBL1145314 0.74 IDO1 (0.64) IDO1PNMTTAAR1MEN1KMT2A
SCHEMBL648491 0.73 IDO1 (0.44) IDO1TAAR1MEN1KMT2AMAPT
SCHEMBL9419151 0.73 IDO1 (0.52) IDO1PNMTMAOBMAOATAAR1

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 IDO1 3658/4885PNMT 1652/4885MAOB 363/4885

“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.