SCHEMBL2768563

SCHEMBL2768563

CCOc1ccc(NC(=S)Nc2noc3cccc(N(C)C)c23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.52
GAA P10253 6/20 0.48
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 4/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PTGES O14684 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
THRB P10828 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
NSD2 O96028 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
BLM P54132 1/20 0.43
MPI P34949 1/20 0.43

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
SCHEMBL2768714 0.88 CYP1A2 (0.48) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL2767863 0.85 RAB9A (0.49) MAPTALDH1A1KDM4EKMT2AL3MBTL1
SCHEMBL2769603 0.84 ALDH1A1 (0.55) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL2768567 0.82 IDO1 (0.42) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL2767956 0.81 HIF1A (0.46) MAPTGAAALDH1A1KDM4EKMT2A
SCHEMBL2768623 0.80 MAPT (0.59) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL2769966 0.80 MAPT (0.49) MAPTKMT2AL3MBTL1SMN1; SMN2RAB9A
SCHEMBL2768385 0.79 ABL1 (0.42) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL2770206 0.78 GAA (0.51) MAPTGAAALDH1A1KMT2AMEN1
SCHEMBL2784783 0.78 MAPT (0.39) MAPTALDH1A1KDM4ELMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1881967-B1 SUBSTITUTED BENZO(D)ISOXAZOL-3-YL AMINE COMPOUNDS AS ANALGESICS GRUENENTHAL GMBH (DE) 2010-04-28 EP claimed
US-20080176915-A1 Substituted Benzo[d]isoxazol-3-yl Amine Compounds as Analgesics GRUENENTHAL GMBH (DE) 2008-07-24 US claimed
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 MAPT 2492/4885GAA 3898/4885ALDH1A1 1965/4885

“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.