SCHEMBL2769259

SCHEMBL2769259

CCOC(=O)CC(C)NC(=S)Nc1noc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 8/20 0.44
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 4/20 0.44
LTC4S Q16873 1/20 0.41
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
KCNJ6 P48051 1/20 0.39
KCNJ3 P48549 1/20 0.39
LMNA P02545 3/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
GALR3 O60755 1/20 0.37
KMT2A Q03164 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL2769868 0.86 SMN1; SMN2 (0.46) TP53SMN1; SMN2MAPTLTC4SALOX15
SCHEMBL2768525 0.83 LTC4S (0.35) LTC4STSHRHPGDALDH1A1RAB9A
SCHEMBL14721153 0.78 SMN1; SMN2 (0.52) TP53SMN1; SMN2MAPTALOX15TSHR
SCHEMBL2769262 0.78 SMN1; SMN2 (0.43) TP53SMN1; SMN2MAPTALOX15TSHR
SCHEMBL2768732 0.75 ALDH1A1 (0.65) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL2768875 0.74 SMN1; SMN2 (0.53) TP53SMN1; SMN2MAPTALOX15TSHR
SCHEMBL2768300 0.72 SMN1; SMN2 (0.48) TP53SMN1; SMN2MAPTALOX15TSHR
SCHEMBL2768623 0.72 MAPT (0.59) TP53SMN1; SMN2MAPTLMNAKDM4E
SCHEMBL2770485 0.72 SMN1; SMN2 (0.46) TP53SMN1; SMN2MAPTALOX15TSHR
SCHEMBL2768684 0.71 SMN1; SMN2 (0.51) TP53SMN1; SMN2MAPTALOX15TSHR

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 TP53 4784/4885SMN1; SMN2 1349/4885MAPT 2492/4885

“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.