SCHEMBL3552918

SCHEMBL3552918

C=CCOc1ccc(CN(c2noc3cc(F)ccc23)N(Cc2cc(OC)c(OC)cc2OCc2ccccc2)c2noc3ccccc23)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.43
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PKM P14618 1/20 0.33
CYP3A4 P08684 1/20 0.33
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HCRTR2 O43614 1/20 0.33
HTR2A P28223 1/20 0.32

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
SCHEMBL3552916 0.82 EPHX2 (0.39) BCHEMAOBEGFRERBB2KMT2A
SCHEMBL3563880 0.69 MAPK1 (0.42) KMT2AMEN1CYP3A4MAPTNPSR1
SCHEMBL2769294 0.64 EGFR (0.46) EGFRKMT2AMEN1ACHE
SCHEMBL2767484 0.63 ALDH1A1 (0.46) MAOBMAOAMAPTHTR2A
SCHEMBL21667956 0.62 FFAR1 (0.58) BCHEKMT2AMEN1CYP3A4MAPT
SCHEMBL18169335 0.60 L3MBTL1 (0.48) PKMMAPTTDP1
SCHEMBL7163366 0.60 BCHE (0.48) BCHEMAOBMAOAEGFRERBB2
SCHEMBL4228617 0.60 FFAR1 (0.66) BCHEKMT2ACYP3A4MAPTTDP1
SCHEMBL30002764 0.60 FFAR1 (0.66) BCHEKMT2ACYP3A4MAPTTDP1
SCHEMBL7290118 0.59 BCHE (0.60) BCHEMAOBMAOAEGFRERBB2

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 BCHE 3774/4885MAOB 1172/4885MAOA 1116/4885

“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.