SCHEMBL29310877

SCHEMBL29310877

Cc1ccc(C2(c3csc(N)n3)CCC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.69
LTA4H P09960 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
NOS1 P29475 1/20 0.38
HSD11B1 P28845 3/20 0.37
HSD11B2 P80365 3/20 0.37
GPR55 Q9Y2T6 1/20 0.37
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.36
GFER P55789 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RBP1 P09455 1/20 0.35
ALOX5AP P20292 1/20 0.35

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
SCHEMBL8280834 0.97 BACE1 (0.74) BACE1LTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL27183644 0.85 BACE1 (0.69) BACE1LTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL8280838 0.85 BACE1 (0.94) BACE1LTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL8281540 0.84 BACE1 (0.78) BACE1SMN1; SMN2NPC1RAB9ANOS1
SCHEMBL27183888 0.82 BACE1 (0.74) BACE1LTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL8280835 0.82 BACE1 (1.00) BACE1LTA4HSMN1; SMN2NPC1RAB9A
SCHEMBL8280899 0.82 BACE1 (0.74) BACE1SMN1; SMN2NPC1RAB9ANOS1
SCHEMBL8282517 0.82 BACE1 (0.74) BACE1SMN1; SMN2NPC1RAB9AHSD11B1
SCHEMBL3139632 0.81 BACE1 (0.73) BACE1SMN1; SMN2NPC1RAB9ANOS1
SCHEMBL8281573 0.81 BACE1 (0.68) BACE1LTA4HSMN1; SMN2NPC1RAB9A

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-20240226094-A1 ALPHA PROTEIN KINASE 1 INHIBITORS FOR USE IN TREATING KAWASAKI DISEASE XU, Cong (CN) 2024-07-11 US disclosed
US-20240226094-A1 ALPHA PROTEIN KINASE 1 INHIBITORS FOR USE IN TREATING KAWASAKI DISEASE XU, Cong (CN) 2024-07-11 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-20240226094-A1 ALPHA PROTEIN KINASE 1 INHIBITORS FOR USE IN TREATING KAWASAKI DISEASE PHKA1, PHKA2, PHKG1 BACE1 1518/4885LTA4H 1304/4885SMN1; SMN2 3434/4885

“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.