SCHEMBL24932307

SCHEMBL24932307

CC(C)C(=O)Nc1ccc(Cc2ccccc2F)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.54
ALDH1A1 P00352 9/20 0.48
RAB9A P51151 6/20 0.48
NPC1 O15118 5/20 0.48
TP53 P04637 4/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 2/20 0.46
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.44
ALOX15 P16050 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 3/20 0.43
GCK P35557 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RARA P10276 1/20 0.42
RARB P10826 1/20 0.42
RARG P13631 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL24932393 0.84 L3MBTL1 (0.55) ALDH1A1RAB9ANPC1TP53L3MBTL1
SCHEMBL29861014 0.80 RAB9A (0.60) ALDH1A1RAB9ANPC1TP53L3MBTL1
SCHEMBL24931553 0.80 RAB9A (0.60) ALDH1A1RAB9ANPC1TP53L3MBTL1
SCHEMBL24932334 0.77 MAPT (0.55) TDP1ALDH1A1RAB9ANPC1TP53
SCHEMBL3466199 0.76 ALDH1A1 (0.50) ALDH1A1RAB9ANPC1TP53L3MBTL1
SCHEMBL29929642 0.76 GCK (0.48) TDP1ALDH1A1RAB9ANPC1TP53
SCHEMBL19699480 0.74 FFAR2 (0.62) ALDH1A1RAB9ANPC1TP53L3MBTL1
SCHEMBL29563851 0.74 TSHR (0.44) ALDH1A1RAB9ANPC1TP53L3MBTL1
SCHEMBL27210883 0.74 TSHR (0.44) ALDH1A1RAB9ANPC1TP53L3MBTL1
SCHEMBL24931564 0.73 ALDH1A1 (0.51) TDP1ALDH1A1RAB9ANPC1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230027929-A1 MrgprX2 Antagonists and Uses Thereof DERMIRA, INC. 2023-01-26 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-20230027929-A1 MrgprX2 Antagonists and Uses Thereof MRGPRX2, MRGPRX1, MRGPRX4 TDP1 4076/4885ALDH1A1 2645/4885RAB9A 1911/4885

“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.