SCHEMBL3312460

SCHEMBL3312460

COc1ccc(C2=NN(C(C)=O)C(c3ccccc3OC)C2)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.78
MAOA P21397 4/20 0.78
POLB P06746 2/20 0.71
KDM4E B2RXH2 1/20 0.71
ALDH1A1 P00352 1/20 0.71
PKM P14618 1/20 0.70
ACHE P22303 5/20 0.61
KMT2A Q03164 1/20 0.61
EGFR P00533 1/20 0.59

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
SCHEMBL3312796 0.91 PKM (0.67) MAOBMAOAPOLBKDM4EALDH1A1
SCHEMBL3312894 0.90 PKM (0.66) MAOBMAOAPOLBKDM4EALDH1A1
SCHEMBL8208092 0.89 MAOB (0.72) MAOBMAOAPOLBKDM4EALDH1A1
SCHEMBL3314530 0.87 MAOB (0.83) MAOBMAOAPKMACHEKMT2A
SCHEMBL3314103 0.85 ALDH1A1 (0.70) MAOBMAOAPOLBKDM4EALDH1A1
SCHEMBL3313341 0.85 POLB (0.80) MAOBMAOAPOLBKDM4EALDH1A1
SCHEMBL3308921 0.85 MAOB (0.83) MAOBMAOAPKMACHEKMT2A
SCHEMBL20988947 0.84 KDM4E (1.00) MAOBMAOAPOLBKDM4EALDH1A1
SCHEMBL3314904 0.83 ACHE (0.71) MAOBMAOAPKMACHEKMT2A
SCHEMBL3314961 0.83 XBP1 (0.60) MAOBMAOAPOLBKDM4EALDH1A1

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
US-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS KALYPSYS, INC. (US) 2010-04-29 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-20100105729-A1 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTI-INFLAMMATORY AGENTS PDE4A, PDE4B, PDE4C MAOB 233/4885MAOA 181/4885POLB 2448/4885

“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.