SCHEMBL23536381

SCHEMBL23536381

Nc1ccccc1-c1ncc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 9/20 0.51
GABRB3 P28472 9/20 0.51
GABRA5 P31644 9/20 0.51
GABRA3 P34903 9/20 0.51
FEN1 P39748 4/20 0.49
ALOX5AP P20292 3/20 0.49
GABRA1 P14867 6/20 0.42
GABRA2 P47869 2/20 0.42
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR5A P47898 1/20 0.39
KCNN4 O15554 1/20 0.38
ADORA2A P29274 1/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1079862 0.83 GABRG2 (0.58) GABRG2GABRB3GABRA5GABRA3FEN1
SCHEMBL6019107 0.80 CYP1A2 (0.45) FEN1ALOX5APALDH1A1L3MBTL1ADORA2A
SCHEMBL2648964 0.75 GABRG2 (0.52) GABRG2GABRB3GABRA5GABRA3FEN1
SCHEMBL15636423 0.74 GABRG2 (0.44) GABRG2GABRB3GABRA5GABRA3FEN1
SCHEMBL23607649 0.74 GABRG2 (0.38) GABRG2GABRB3GABRA5GABRA3FEN1
SCHEMBL15624387 0.73 GABRG2 (0.43) GABRG2GABRB3GABRA5GABRA3FEN1
SCHEMBL1923848 0.72 GABRG2 (0.40) GABRG2GABRB3GABRA5GABRA3FEN1
SCHEMBL23536042 0.72 ALDH1A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL29931945 0.72 ALDH1A1 (0.45) GABRG2GABRB3GABRA5GABRA3GABRA1
SCHEMBL25216814 0.71 GABRG2 (0.46) GABRG2GABRB3GABRA5GABRA3FEN1

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
US-20230104936-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. 2023-04-06 US disclosed
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 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-20230104936-A1 TRPML MODULATORS TRPM2, TRPM4, TRPM5 GABRG2 817/4885GABRB3 528/4885GABRA5 513/4885

“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.