SCHEMBL3310619

SCHEMBL3310619

COc1ccc(OC)c(C2CC(c3ccc(OC)c(OC)c3)=NN2C(=O)c2ccccc2Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
POLB P06746 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 1/20 0.58
KMT2A Q03164 5/20 0.56
MAPK1 P28482 1/20 0.53
ATM Q13315 1/20 0.53
PKM P14618 2/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
MEN1 O00255 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
RAB9A P51151 1/20 0.51
HTT P42858 1/20 0.51
MAOA P21397 3/20 0.49
MAOB P27338 2/20 0.49
EGFR P00533 1/20 0.49
BRAF P15056 1/20 0.49
NPSR1 Q6W5P4 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
SCHEMBL3314397 0.91 ALDH1A1 (0.62) KDM4EPOLBALDH1A1KMT2APKM
SCHEMBL3314426 0.90 KMT2A (0.65) KDM4EALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3314649 0.88 XBP1 (0.57) KDM4EPOLBALDH1A1MAPTKMT2A
SCHEMBL3314554 0.88 XBP1 (0.57) KDM4EPOLBALDH1A1MAPTKMT2A
SCHEMBL3312868 0.87 KMT2A (0.65) KDM4EPOLBALDH1A1MAPTKMT2A
SCHEMBL3319431 0.87 KMT2A (0.61) KDM4EPOLBALDH1A1KMT2APKM
SCHEMBL3314469 0.84 KMT2A (0.65) KDM4EPOLBALDH1A1MAPTKMT2A
SCHEMBL8206289 0.84 ALDH1A1 (0.57) KDM4EPOLBALDH1A1MAPTKMT2A
SCHEMBL3314624 0.83 KMT2A (0.64) KDM4EPOLBALDH1A1MAPTKMT2A
SCHEMBL3314410 0.81 PTGS2 (0.62) KDM4EPOLBALDH1A1MAPTKMT2A

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 4 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
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 KDM4E 332/4885POLB 2448/4885ALDH1A1 576/4885

“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.