SCHEMBL3563880

SCHEMBL3563880

COc1cc(OC)c(OC)cc1CN(c1noc2ccccc12)N(Cc1ccc(Cl)c(Cl)c1)c1noc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
KAT6A Q92794 1/20 0.37
HTR1A P08908 3/20 0.36
HTR2C P28335 3/20 0.36
HTR2B P41595 3/20 0.36
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR5A P47898 2/20 0.36
HTR6 P50406 2/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1E P28566 1/20 0.36
HTR3A P46098 1/20 0.36
LMNA P02545 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SLC6A4 P31645 3/20 0.35

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
SCHEMBL3563879 0.76 EPHX2 (0.47) MAPK1KAT6AHTR2AMAPTTP53
SCHEMBL4934925 0.65 MAPT (0.41) MAPK1KAT6AHTR2AMAPTTP53
SCHEMBL2767665 0.65 EPHX2 (0.48) MAPK1KAT6AMAPTTP53LMNA
SCHEMBL4934931 0.62 GPBAR1 (0.38) KAT6AMAPTTP53CYP3A4CYP2C19
SCHEMBL2769029 0.62 EPHX2 (0.60) TP53MEN1KMT2AALDH1A1
SCHEMBL4931003 0.61 ESR1 (0.44) KAT6AMAPTTP53LMNAMEN1
SCHEMBL14980963 0.61 KMT2A (0.49) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL5989215 0.60 KAT6A (0.55) MAPK1KAT6AMAPTTP53MEN1
SCHEMBL4931993 0.60 ESR1 (0.41) MAPK1HTR2AMAPTLMNAL3MBTL1
SCHEMBL6923445 0.59 EPHX2 (0.58) KAT6AMAPTTP53KMT2ARAB9A

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 MAPK1 1590/4885KAT6A 514/4885HTR1A 451/4885

“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.