SCHEMBL2769340

SCHEMBL2769340

COc1cc(NC(=O)N(S)c2noc3cccc(OCC(F)(F)F)c23)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
THRB P10828 1/20 0.39
HTT P42858 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
LMNA P02545 2/20 0.38
KCNA5 P22460 1/20 0.38
TP53 P04637 2/20 0.37
PTGS2 P35354 1/20 0.37

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
SCHEMBL2769338 0.78 ALDH1A1 (0.48) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2769848 0.78 MAPT (0.61) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2771751 0.75 TP53 (0.39) MAPTSMN1; SMN2MEN1KMT2ACYP3A4
SCHEMBL2769787 0.74 HIF1A (0.52) MAPTSMN1; SMN2HTTALDH1A1TSHR
SCHEMBL2787572 0.74 MAPT (0.38) MAPTSMN1; SMN2MAPK1MEN1KMT2A
SCHEMBL2786528 0.73 HIF1A (0.36) KCNA5
SCHEMBL2767552 0.70 KCNA5 (0.36) MAPTKCNA5
SCHEMBL2437982 0.70 S1PR1 (0.49) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL2768426 0.70 LCLAT1 (0.37) SMN1; SMN2TSHRKCNA5TP53
SCHEMBL2769970 0.69 HIF1A (0.49) MAPTSMN1; SMN2MEN1KMT2ACYP3A4

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 2492/4885SMN1; SMN2 1349/4885MAPK1 1590/4885

“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.