SCHEMBL1720768

SCHEMBL1720768

NC(=O)c1ccnc(C(F)(F)F)c1F

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.46
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
P2RX7 Q99572 11/20 0.40
KMT2A Q03164 1/20 0.39
CYP2C19 P33261 1/20 0.38
SLC6A9 P48067 1/20 0.38
CD38 P28907 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
SCHEMBL28311764 0.85 HTT (0.45) HTTHSD17B10KDM4EASPHKDM8
SCHEMBL1720696 0.84 ASPH (0.59) L3MBTL1HTTHSD17B10KDM4EASPH
SCHEMBL29882303 0.84 ASPH (0.59) L3MBTL1HTTHSD17B10KDM4EASPH
SCHEMBL25251294 0.82 L3MBTL1 (0.46) L3MBTL1HTTHSD17B10KDM4EKMT2A
SCHEMBL30238408 0.82 L3MBTL1 (0.46) L3MBTL1HTTHSD17B10KDM4EASPH
SCHEMBL17509160 0.82 P2RX7 (0.42) HTTHSD17B10KDM4EASPHKDM8
SCHEMBL9928615 0.82 SLC6A9 (0.42) L3MBTL1HTTHSD17B10KDM4EASPH
SCHEMBL17981949 0.81 L3MBTL1 (0.44) L3MBTL1HTTHSD17B10KDM4EP2RX7
SCHEMBL18417648 0.79 KDM4E (0.44) L3MBTL1HTTKDM4EASPHKDM8
SCHEMBL31726092 0.78 SLC6A9 (0.45) HTTHSD17B10KDM4EASPHKDM8

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 3 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 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 L3MBTL1 4399/4885HTT 2804/4885HSD17B10 4203/4885

“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.