SCHEMBL3313341

SCHEMBL3313341

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

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.80
ALDH1A1 P00352 4/20 0.73
KDM4E B2RXH2 3/20 0.73
RXRA P19793 1/20 0.59
RXRB P28702 1/20 0.59
RXRG P48443 1/20 0.59
MAOB P27338 2/20 0.58
MAOA P21397 1/20 0.58
KMT2A Q03164 1/20 0.57
RAB9A P51151 1/20 0.55
RCE1 Q9Y256 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PKM P14618 1/20 0.52
YAP1 P46937 1/20 0.52
TEAD4 Q15561 1/20 0.52
MAPT P10636 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3312768 0.92 KDM4E (0.70) POLBALDH1A1KDM4ERXRARXRB
SCHEMBL3313199 0.90 KDM4E (0.75) POLBALDH1A1KDM4EMAOBMAOA
SCHEMBL3314287 0.87 KDM4E (0.74) POLBALDH1A1KDM4EMAOBMAOA
SCHEMBL3319323 0.87 KDM4E (0.71) POLBALDH1A1KDM4EMAOBMAOA
SCHEMBL3313178 0.86 KDM4E (0.70) POLBALDH1A1KDM4ERXRARXRB
SCHEMBL3518452 0.86 KDM4E (0.70) POLBALDH1A1KDM4ERXRARXRB
SCHEMBL3312460 0.85 MAOB (0.78) POLBALDH1A1KDM4EMAOBMAOA
SCHEMBL3312861 0.85 KDM4E (0.69) POLBALDH1A1KDM4EKMT2A
SCHEMBL3318087 0.85 KDM4E (0.63) POLBALDH1A1KDM4ERXRARXRB
SCHEMBL3311061 0.84 KDM4E (0.70) POLBALDH1A1KDM4EKMT2ARAB9A

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 POLB 2448/4885ALDH1A1 576/4885KDM4E 332/4885

“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.