SCHEMBL3552916

SCHEMBL3552916

C=CCOc1ccc(CNc2noc3cc(F)ccc23)cc1.COc1cc(CNc2noc3ccccc23)c(OCc2ccccc2)cc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
BCHE P06276 4/20 0.38
EGFR P00533 8/20 0.37
ERBB2 P04626 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
LCK P06239 1/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
MAP2K4 P45985 1/20 0.35
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
PLA2G1B P04054 1/20 0.34
GAA P10253 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
TLR7 Q9NYK1 1/20 0.34

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
SCHEMBL3552918 0.82 BCHE (0.43) BCHEEGFRERBB2MAPTKMT2A
SCHEMBL2769294 0.82 EGFR (0.46) EPHX2EGFRKDM4ELMNAHPGD
SCHEMBL2767484 0.81 ALDH1A1 (0.46) EPHX2KDM4ELMNAHPGDMAP2K4
SCHEMBL2767350 0.76 KDM4E (0.48) EGFRKDM4ELMNAHPGDHTT
SCHEMBL2768384 0.73 KCNA5 (0.53) BCHEEGFRKDM4ELMNAHPGD
SCHEMBL2767665 0.73 EPHX2 (0.48) EPHX2KDM4ELMNAHPGDHTT
SCHEMBL2768709 0.71 MEN1 (0.50) EPHX2BCHEKDM4ELMNAMAPT
SCHEMBL2768789 0.70 EPHX2 (0.40) EPHX2EGFRKDM4ELMNAHPGD
SCHEMBL3563879 0.69 EPHX2 (0.47) EPHX2BCHEKDM4ELMNAHPGD
SCHEMBL2767262 0.68 KCNA5 (0.42) EGFRKDM4ELMNAHPGDHTT

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 disclosed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 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-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics KCNQ1, KCNQ2, KCNQ3 EPHX2 3694/4885BCHE 3774/4885EGFR 4828/4885

“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.