SCHEMBL1720526

SCHEMBL1720526

Cc1cc(C)cc(C(C)Nc2noc3ncccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
PLK1 P53350 3/20 0.39
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
GALR3 O60755 1/20 0.35
NR2F2 P24468 1/20 0.35
EGFR P00533 2/20 0.35
LMNA P02545 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
SOS1 Q07889 2/20 0.34
KRAS P01116 1/20 0.34
DYRK1A Q13627 3/20 0.34
HTT P42858 2/20 0.33
GAA P10253 1/20 0.33
PLK2 Q9NYY3 1/20 0.33
LDHA P00338 1/20 0.33
LDHB P07195 1/20 0.33
TSHR P16473 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL1720568 0.80 PLK1 (0.35) PLK1EGFRLMNAKDM4ESMN1; SMN2
SCHEMBL1720565 0.79 EPHX2 (0.45) EPHX2PLK1ALDH1A1HPGDLMNA
SCHEMBL1721086 0.79 EPHX2 (0.64) EPHX2ALDH1A1HPGDEGFRKDM4E
SCHEMBL1721593 0.76 EPHX2 (0.46) EPHX2ALDH1A1HPGDGALR3NR2F2
SCHEMBL1720959 0.75 SOS1 (0.39) SOS1KRASHDAC4HDAC1HDAC6
SCHEMBL1721951 0.75 EPHX2 (0.46) EPHX2ALDH1A1HPGDLMNAKDM4E
SCHEMBL1720789 0.74 EPHX2 (0.45) EPHX2PLK1SOS1PLK2HDAC4
SCHEMBL1720360 0.74 EPHX2 (0.45) EPHX2PLK1KDM4ESOS1PLK2
SCHEMBL18879017 0.72 EPHX2 (0.54) EPHX2ALDH1A1LMNAKDM4ENPC1
SCHEMBL1721455 0.72 EPHX2 (0.54) EPHX2PLK1SOS1KRASHDAC4

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
US-20100234419-A1 SUBSTITUTED 3-AMINOISOXAZOLOPYRIDINES AS KCNQ2/3 MODULATORS GRUNENTHAL GMBH (DE) 2010-09-16 US 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

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 4263/4885PLK1 1747/4885ALDH1A1 3278/4885

“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.