SCHEMBL1720447

SCHEMBL1720447

CC(Nc1noc2ccncc12)c1ccc(SC(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
HDAC4 P56524 5/20 0.41
HDAC1 Q13547 5/20 0.41
HDAC6 Q9UBN7 5/20 0.41
PDE2A O00408 9/20 0.36
LATS1 O95835 2/20 0.33
MEN1 O00255 1/20 0.33
CLK1 P49759 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL2768162 0.85 EPHX2 (0.45) EPHX2HDAC4HDAC1HDAC6PDE2A
SCHEMBL1721593 0.77 EPHX2 (0.46) EPHX2HDAC4HDAC1HDAC6PDE2A
SCHEMBL1720561 0.77 EPHX2 (0.46) EPHX2HDAC4HDAC1HDAC6PDE2A
SCHEMBL1720758 0.77 EPHX2 (0.50) EPHX2HDAC4HDAC1HDAC6
SCHEMBL1720360 0.76 EPHX2 (0.45) EPHX2HDAC4HDAC1HDAC6LATS1
SCHEMBL1720909 0.75 EPHX2 (0.64) EPHX2HDAC4HDAC1HDAC6PDE2A
SCHEMBL2768246 0.69 EPHX2 (0.61) EPHX2HDAC4HDAC1HDAC6PDE2A
SCHEMBL1721129 0.68 EPHX2 (0.50) EPHX2HDAC4HDAC1HDAC6
SCHEMBL18878981 0.67 EPHX2 (0.54) EPHX2LATS1
SCHEMBL1720789 0.66 EPHX2 (0.45) EPHX2HDAC4HDAC1HDAC6LATS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP claimed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO claimed
EP-2406265-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2012-01-18 EP disclosed
WO-2010102778-A2 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS Grünenthal GmbH (DE) 2010-09-16 WO disclosed
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 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-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS KCNQ1, KCNQ2, KCNQ3 EPHX2 4263/4885HDAC4 1563/4885HDAC1 3104/4885

“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.