SCHEMBL3311133

SCHEMBL3311133

COc1ccc2cc(C3CC(c4ccc(OC)c(OC)c4)=NN3C(C)=O)c(Cl)nc2c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.58
MAOA P21397 1/20 0.58
PKM P14618 2/20 0.55
MAPT P10636 1/20 0.55
BLM P54132 1/20 0.55
XBP1 P17861 1/20 0.54
KDM4E B2RXH2 2/20 0.54
EGFR P00533 3/20 0.54
ABCB1 P08183 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.52
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
ACHE P22303 2/20 0.51

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
SCHEMBL3312487 0.91 KDM4E (0.64) MAOBMAOAPKMMAPTBLM
SCHEMBL3314961 0.89 XBP1 (0.60) MAOBMAOAPKMXBP1KDM4E
SCHEMBL3318263 0.88 KDM4E (0.71) PKMMAPTBLMXBP1KDM4E
SCHEMBL3314554 0.87 XBP1 (0.57) MAOAPKMMAPTBLMXBP1
SCHEMBL3312789 0.87 KDM4E (0.65) PKMMAPTBLMXBP1KDM4E
SCHEMBL3316509 0.86 XBP1 (0.76) PKMMAPTBLMXBP1KDM4E
SCHEMBL3314444 0.85 PKM (0.55) MAOBMAOAPKMMAPTBLM
SCHEMBL3312183 0.83 POLB (0.59) PKMMAPTBLMXBP1KDM4E
SCHEMBL3314306 0.82 KMT2A (0.63) MAOBMAOAPKMMAPTBLM
SCHEMBL3310763 0.81 PKM (0.57) MAOBMAOAPKMKDM4EEGFR

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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 US disclosed
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C MAOB 233/4885MAOA 181/4885PKM 2178/4885

“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.