SCHEMBL25756815

SCHEMBL25756815

CC(I)Cc1cccnc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.51
CHRNB2 P17787 3/20 0.50
CHRNA4 P43681 3/20 0.50
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
TBXAS1 P24557 2/20 0.47
CHRNA7 P36544 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL103883 0.83 FDPS (0.55) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL24334938 0.82 FDPS (0.53) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL30082869 0.80 FDPS (0.56) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL29669201 0.80 SLC6A2 (0.57) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL290633 0.80 SLC6A2 (0.57) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL12894954 0.80 SLC6A2 (0.57) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL12632304 0.80 FDPS (0.56) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL14828666 0.80 FDPS (0.56) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL2096123 0.80 FDPS (0.51) FDPSCHRNB2CHRNA4CYP1A2CYP2D6
SCHEMBL27739281 0.80 FDPS (0.51) FDPSCHRNB2CHRNA4CYP1A2CYP2D6

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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2023-06-08 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-20230174523-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF TRAP1, PINK1, TP53BP1 FDPS 1730/4885CHRNB2 1675/4885CHRNA4 2659/4885

“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.