SCHEMBL12266259

SCHEMBL12266259

NCCOB(c1ccc(COc2ccc(B(OCCN)c3ccc(C(F)(F)F)cc3)cc2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 8/20 0.62
▸ IDO1 P14902 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ TRPM2 O94759 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ THRB P10828 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ ALOX12 P18054 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ HMOX1 P09601 1/20 0.43
▸ PTPRC P08575 1/20 0.43
▸ PTPN2 P17706 1/20 0.43

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
SCHEMBL12270826 0.94 MAOB (0.55) MAOBIDO1KDM4EMEN1TRPM2
SCHEMBL12319389 0.85 CYP1A2 (0.58) MAOBIDO1KDM4EMEN1TRPM2
SCHEMBL16151506 0.83 MAOB (0.51) MAOBHMOX1
SCHEMBL13383487 0.83 LYPLA1 (0.55) MAOBHMOX1HRH3
SCHEMBL12266251 0.83 CYP1A2 (0.67) MAOBKDM4EMEN1TRPM2ALDH1A1
SCHEMBL12271226 0.79 LYPLA1 (0.51) MAOBALDH1A1MAPK1
SCHEMBL12271043 0.79 MAOB (0.47) MAOBALDH1A1MAPK1
SCHEMBL12270665 0.79 CYP1A2 (0.50) MAOBIDO1KDM4EMEN1TRPM2
SCHEMBL14264227 0.78 MAOB (0.97) MAOBHMOX1TAAR1
Hydrochloric Acid SCHEMBL4450419 0.77 MAOB (1.00) MAOBTAAR1

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-8017809-B2 Bisboron compound JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-09-13 — — US disclosed
US-20100087645-A1 NOVEL BISBORON COMPOUND JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2010-04-08 — — US 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-20100087645-A1 NOVEL BISBORON COMPOUND KCNMB4, CA2, NR0B2 MAOB 1138/4885IDO1 4044/4885KDM4E 3037/4885

“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.

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