SCHEMBL9488570

SCHEMBL9488570

ON=C1CCCc2ccc(OCc3ccccc3)cc21

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.66
MAOB P27338 7/20 0.66
RXRA P19793 3/20 0.49
RXRB P28702 3/20 0.49
RXRG P48443 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 1/20 0.49
GFER P55789 1/20 0.49
PAX8 Q06710 1/20 0.49
KLF5 Q13887 1/20 0.49
MRGPRX4 Q96LA9 1/20 0.49
HRH3 Q9Y5N1 3/20 0.48
HPGD P15428 1/20 0.48
KDM1A O60341 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 2/20 0.45

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
SCHEMBL17310722 1.00 MAOA (0.66) MAOAMAOBRXRARXRBRXRG
SCHEMBL9489485 0.90 MAOA (0.66) MAOAMAOBRXRARXRBRXRG
SCHEMBL26896661 0.82 MAOA (0.59) MAOAMAOBRXRARXRBRXRG
SCHEMBL9487904 0.81 MAOB (0.58) MAOAMAOBNPC1RAB9AHRH3
SCHEMBL9487908 0.81 MAOB (0.58) MAOAMAOBNPC1RAB9AHRH3
SCHEMBL5470702 0.81 HPGD (0.53) MAOAMAOBL3MBTL1HRH3HPGD
SCHEMBL5470704 0.81 HPGD (0.53) MAOAMAOBL3MBTL1HRH3HPGD
SCHEMBL30067289 0.80 MAOB (1.00) MAOAMAOBNPC1RAB9AHPGD
SCHEMBL3501723 0.80 MAOB (1.00) MAOAMAOBNPC1RAB9AHPGD
SCHEMBL25399930 0.79 MAOA (0.56) MAOAMAOBRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2872490-B1 ANTIPROLIFERATIVE BENZO[B]AZEPIN-2-ONES HOFFMANN LA ROCHE (CH) 2018-02-07 EP disclosed
US-9611224-B2 Antiproliferative benzo [B] azepin-2-ones HOFFMANN-LA ROCHE INC. (US) 2017-04-04 US disclosed
US-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES HOFFMAN-LA ROCHE INC. (US) 2015-12-10 US disclosed
EP-2872490-A1 ANTIPROLIFERATIVE BENZO [B]AZEPIN- 2 - ONES F. Hoffmann-La Roche AG (CH) 2015-05-20 EP disclosed
WO-2014009495-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN- 2 - ONES F. HOFFMANN-LA ROCHE AG (CH) 2014-01-16 WO disclosed
EP-0522000-A1 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-01-13 EP disclosed
WO-1991014674-A2 5-LIPOXYGENASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1991-10-03 WO 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-20150353499-A1 ANTIPROLIFERATIVE BENZO [B] AZEPIN-2-ONES CCNY, RB1, TOP2B MAOA 2309/4885MAOB 631/4885RXRA 1800/4885

“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.