SCHEMBL95697

SCHEMBL95697

[O]/C=C/C=C/Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.61
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
ARG2 P78540 1/20 0.47
TOP1 P11387 1/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CALM1 P0DP23 1/20 0.36
MAPK1 P28482 1/20 0.36
ADH1B P00325 1/20 0.35
ADH1C P00326 1/20 0.35
ADH1A P07327 1/20 0.35
ADH7 P40394 1/20 0.35
IDO1 P14902 2/20 0.34
EPHX2 P34913 1/20 0.34
AKR1B1 P15121 1/20 0.34
KCNH2 Q12809 2/20 0.34
TP53 P04637 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
SCHEMBL95698 1.00 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL628859 0.88 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL462351 0.88 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL27558493 0.85 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL30075910 0.85 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL96574 0.83 MAOB (0.70) MAOBCA1CA2ARG2TOP1
SCHEMBL96575 0.83 MAOB (0.70) MAOBCA1CA2ARG2TOP1
SCHEMBL8348918 0.80 MAOB (0.58) MAOBCA1CA2ARG2TOP1
SCHEMBL6803904 0.80 MAOB (0.58) MAOBCA1CA2ARG2TOP1
SCHEMBL145089 0.79 MAOB (0.64) MAOBCA1CA2ARG2TOP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB MAOB 2043/4885CA1 3276/4885CA2 823/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MAOB 4538/4885CA1 2592/4885CA2 254/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MAOB 4538/4885CA1 2592/4885CA2 254/4885

“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.