SCHEMBL837229

SCHEMBL837229

N=C(Cc1coc2ccccc12)NO

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 1/20 0.47
▸ CA2 P00918 1/20 0.45
▸ PSMB5 P28074 6/20 0.42
▸ PSMB8 P28062 4/20 0.42
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ TP53 P04637 1/20 0.39
▸ KDM4C Q9H3R0 1/20 0.39

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
SCHEMBL10394689 0.75 KDM4E (0.37) MAOBPSMB5KDM4ETP53
SCHEMBL6511946 0.74 MAOB (0.71) MAOBCA2PSMB5PSMB8KDM4C
SCHEMBL1027115 0.74 KDM4E (0.62) MAOBCA2PSMB5PSMB8KDM4E
Ammonia Solution, Strong SCHEMBL6385399 0.72 KDM4E (0.60) MAOBCA2PSMB5PSMB8KDM4E
SCHEMBL3147413 0.72 MAOB (0.54) MAOBCA2PSMB5PSMB8KDM4E
SCHEMBL18331257 0.72 MAOB (0.54) MAOBCA2PSMB5PSMB8KDM4E
SCHEMBL6511944 0.72 MAOB (0.63) MAOBCA2PSMB5PSMB8KDM4E
SCHEMBL734054 0.72 KDM4E (0.55) MAOBCA2PSMB5PSMB8KDM4E
SCHEMBL28840750 0.72 MAOB (0.53) MAOBCA2PSMB5PSMB8
SCHEMBL21028526 0.71 MAOB (0.49) MAOBCA2PSMB5PSMB8HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 — — EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 — — US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 — — US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 — — EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 — — 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 (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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 MAOB 221/4885CA2 4037/4885PSMB5 3519/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH MAOB 425/4885CA2 4254/4885PSMB5 4221/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 MAOB 258/4885CA2 3862/4885PSMB5 3618/4885

“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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