SCHEMBL26152003

SCHEMBL26152003

CC(C)(F)c1ncc(C(=O)O)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 2/20 0.53
KDM4E B2RXH2 2/20 0.53
ALOX15 P16050 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.42
P4HA1 P13674 2/20 0.42
P4HTM Q9NXG6 2/20 0.42
HCAR2 Q8TDS4 3/20 0.41
MIF P14174 1/20 0.41
HCAR3 P49019 4/20 0.40
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39

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
SCHEMBL1434818 0.83 ALDH1A1 (0.52) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL186013 0.83 L3MBTL1 (0.49) ALDH1A1HSD17B10KDM4EALOX15L3MBTL1
SCHEMBL26152000 0.81 ALDH1A1 (0.50) ALDH1A1HSD17B10KDM4EALOX15L3MBTL1
SCHEMBL26152002 0.79 MAPK1 (0.49) ALDH1A1KDM4EL3MBTL1MAPTPOLB
SCHEMBL26152001 0.76 KDM4E (0.46) ALDH1A1HSD17B10KDM4EALOX15L3MBTL1
SCHEMBL30521254 0.75 P4HA1 (0.52) ALDH1A1HSD17B10L3MBTL1P4HA1P4HTM
SCHEMBL25804618 0.75 P4HA1 (0.52) ALDH1A1HSD17B10L3MBTL1P4HA1P4HTM
SCHEMBL4886683 0.71 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EALOX15P4HA1
SCHEMBL15718539 0.71 P4HA1 (0.52) ALDH1A1HSD17B10L3MBTL1P4HA1P4HTM
SCHEMBL185619 0.70 ALDH1A1 (0.58) ALDH1A1HSD17B10KDM4EALOX15P4HA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 US disclosed
US-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS XENON PHARMACEUTICALS INC. (CA) 2023-05-18 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-20230150972-A1 PYRIDINYL DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1B, SCN1A, SCN2B ALDH1A1 1828/4885HSD17B10 2786/4885KDM4E 1340/4885

“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.