SCHEMBL2770657

SCHEMBL2770657

FC(F)(F)c1ccc(NC(=S)Nc2noc3ccccc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 14/20 0.67
SMN1; SMN2 Q16637 3/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.48
SIRT2 Q8IXJ6 1/20 0.47

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
SCHEMBL2770276 0.86 MAPT (0.57) EPHX2SMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL2771187 0.85 SMN1; SMN2 (0.61) EPHX2SMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL2769319 0.85 ALDH1A1 (0.55) EPHX2SMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL2784411 0.83 EPHX2 (0.56) EPHX2SMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL2770755 0.80 EPHX2 (0.67) EPHX2SMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL2768326 0.80 HIF1A (0.60) EPHX2SMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL2768846 0.79 HIF1A (0.64) SMN1; SMN2MEN1ALDH1A1GAAMAPT
SCHEMBL2768457 0.78 ALDH1A1 (0.52) EPHX2SMN1; SMN2MEN1ALDH1A1GAA
SCHEMBL2768332 0.78 POLB (0.56) SMN1; SMN2MEN1ALDH1A1GAAMAPT
SCHEMBL2768623 0.77 MAPT (0.59) SMN1; SMN2MEN1ALDH1A1GAAMAPT

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 EPHX2 3694/4885SMN1; SMN2 1349/4885MEN1 3801/4885

“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.