SCHEMBL3563879

SCHEMBL3563879

COc1cc(OC)c(OC)cc1CNc1noc2ccccc12.Clc1ccc(CNc2noc3ccccc23)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.47
KAT6A Q92794 1/20 0.43
HTR2A P28223 1/20 0.42
SLC6A4 P31645 1/20 0.42
KCNH2 Q12809 1/20 0.42
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
APP P05067 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ3 P48549 1/20 0.40
PDE5A O76074 3/20 0.40
MEN1 O00255 3/20 0.40

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
SCHEMBL2767665 0.88 EPHX2 (0.48) EPHX2KAT6AKDM4EALDH1A1MAPK1
SCHEMBL2769029 0.86 EPHX2 (0.60) EPHX2ALDH1A1SMN1; SMN2TP53ALOX15
SCHEMBL2769294 0.80 EGFR (0.46) EPHX2KAT6AKDM4EALDH1A1MAPK1
SCHEMBL3563880 0.76 MAPK1 (0.42) KAT6AHTR2ASLC6A4KCNH2CLK4
SCHEMBL4934925 0.76 MAPT (0.41) KAT6AHTR2ASLC6A4KCNH2KDM4E
SCHEMBL2767350 0.74 KDM4E (0.48) KAT6AKDM4EALDH1A1MAPK1LMNA
SCHEMBL2768912 0.73 PDE5A (0.44) EPHX2ALDH1A1SMN1; SMN2TP53ALOX15
SCHEMBL2769062 0.70 EPHX2 (0.68) EPHX2CLK4APPALDH1A1LMNA
SCHEMBL2768384 0.68 KCNA5 (0.53) KDM4EMAPK1LMNAMEN1KMT2A
SCHEMBL4933048 0.68 HIF1A (0.41) KDM4EALDH1A1MAPK1LMNASMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696238-B2 Substituted benzo[d]isoxazol-3-yl amine compounds as analgesics GRUENENTHAL GMBH (DE) 2010-04-13 US claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed

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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 EPHX2 3694/4885KAT6A 514/4885HTR2A 483/4885

“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.