SCHEMBL3314287

SCHEMBL3314287

COc1ccc(C2=NN(C(=O)CCC(=O)O)C(c3ccc(OC)c(OC)c3)C2)cc1OC

nearest known ligand 0.86

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.74
ALDH1A1 P00352 2/20 0.74
POLB P06746 2/20 0.72
KMT2A Q03164 3/20 0.69
MAOB P27338 2/20 0.64
MEN1 O00255 2/20 0.58
MAOA P21397 2/20 0.58
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
ACHE P22303 2/20 0.56
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
RCE1 Q9Y256 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55

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
SCHEMBL3319335 0.93 KDM4E (0.70) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL3311061 0.93 KDM4E (0.70) KDM4EALDH1A1POLBKMT2ARAB9A
SCHEMBL3313199 0.93 KDM4E (0.75) KDM4EALDH1A1POLBKMT2AMAOB
SCHEMBL3318074 0.92 KDM4E (0.69) KDM4EALDH1A1POLBKMT2AMEN1
SCHEMBL3312861 0.92 KDM4E (0.69) KDM4EALDH1A1POLBKMT2AACHE
SCHEMBL10074852 0.92 POLB (0.68) KDM4EALDH1A1POLBKMT2AMAOB
SCHEMBL31574569 0.92 POLB (0.68) KDM4EALDH1A1POLBKMT2AMAOB
SCHEMBL14444134 0.91 POLB (0.67) KDM4EALDH1A1POLBKMT2AMAOB
SCHEMBL3319419 0.91 KDM4E (0.68) KDM4EALDH1A1POLBKMT2AMAOB
SCHEMBL3314542 0.87 KDM4E (0.71) KDM4EALDH1A1POLBKMT2ARAB9A

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 KDM4E 332/4885ALDH1A1 576/4885POLB 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.