SCHEMBL3313178

SCHEMBL3313178

COc1ccc(C2=NN(C(=O)CCCC(=O)O)C(c3ccccc3Cl)C2)cc1OC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
ALDH1A1 P00352 3/20 0.70
RXRA P19793 1/20 0.65
RXRB P28702 1/20 0.65
RXRG P48443 1/20 0.65
POLB P06746 4/20 0.60
BRD4 O60885 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.54
SAE1 Q9UBE0 1/20 0.54
UBA2 Q9UBT2 1/20 0.54
EGFR P00533 2/20 0.54
KMT2A Q03164 1/20 0.53
MAOA P21397 4/20 0.51
MAOB P27338 4/20 0.51
HTT P42858 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49

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
SCHEMBL3518452 0.89 KDM4E (0.70) KDM4EALDH1A1RXRARXRBRXRG
SCHEMBL3319323 0.88 KDM4E (0.71) KDM4EALDH1A1POLBBRD4CTDSP1
SCHEMBL3313341 0.86 POLB (0.80) KDM4EALDH1A1RXRARXRBRXRG
SCHEMBL3314425 0.85 KDM4E (0.70) KDM4EALDH1A1POLBKMT2AMAOA
SCHEMBL3319478 0.85 KDM4E (0.73) KDM4EALDH1A1POLBBRD4CTDSP1
SCHEMBL3311016 0.83 KDM4E (1.00) KDM4EALDH1A1POLBKMT2AHTT
SCHEMBL3314542 0.82 KDM4E (0.71) KDM4EALDH1A1POLBKMT2A
SCHEMBL3318235 0.82 KDM4E (0.71) KDM4EALDH1A1POLBKMT2A
SCHEMBL3312768 0.82 KDM4E (0.70) KDM4EALDH1A1RXRARXRBRXRG
SCHEMBL22420546 0.82 MAOB (0.72) KDM4EALDH1A1POLBKMT2AMAOA

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 576/4885RXRA 2092/4885

“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.