SCHEMBL3564340

SCHEMBL3564340

COc1cc(CNc2ccon2)c(OCc2ccccc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
PDGFRB P09619 1/20 0.44
PDGFRA P16234 1/20 0.44
MRGPRX1 Q96LB2 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 3/20 0.40
HTT P42858 2/20 0.40
HPGD P15428 2/20 0.40
EGFR P00533 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
F2 P00734 2/20 0.40
F10 P00742 2/20 0.40
PRSS1 P07477 2/20 0.40
F7 P08709 2/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
BCHE P06276 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TSHR P16473 2/20 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
SCHEMBL2768384 0.75 KCNA5 (0.53) LMNAMRGPRX1KMT2AMEN1KDM4E
SCHEMBL2767350 0.73 KDM4E (0.48) LMNAMRGPRX1KDM4EHTTHPGD
SCHEMBL2767262 0.71 KCNA5 (0.42) LMNAMRGPRX1KMT2AMEN1KDM4E
SCHEMBL20558244 0.71 APLNR (0.56) LMNAKMT2AMEN1TSHRALDH1A1
SCHEMBL8793707 0.70 ABCB1 (0.51) LMNAKMT2AMEN1KDM4EHTT
SCHEMBL6885591 0.68 NPC1 (0.49) HPGDSMN1; SMN2
SCHEMBL28659168 0.68 LMNA (0.61) LMNAMRGPRX1KMT2AMEN1KDM4E
SCHEMBL2901490 0.66 PKM (0.49) LMNAPDGFRBPDGFRAMRGPRX1KMT2A
SCHEMBL15465133 0.66 CYP1A2 (0.65) LMNAKMT2AMEN1TSHRALDH1A1
SCHEMBL11223475 0.65 NPC1 (0.51) PDGFRBPDGFRAKMT2AMEN1HPGD

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 LMNA 1716/4885PDGFRB 3168/4885PDGFRA 2146/4885

“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.