SCHEMBL3115461

SCHEMBL3115461

CSCCCn1cc(CSC)nn1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 12/20 0.58
HRH4 Q9H3N8 5/20 0.39
HRH3 Q9Y5N1 5/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HSP90AB1 P08238 2/20 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
SCHEMBL25013972 0.85 GBA1 (0.57) GBA1HRH4HRH3HSP90AB1
SCHEMBL18757234 0.81 GBA1 (0.41) GBA1HRH4HRH3
SCHEMBL19464603 0.80 GBA1 (0.40) GBA1HRH4HRH3
SCHEMBL22645967 0.79 GBA1 (0.51) GBA1HRH4HRH3HSP90AB1
SCHEMBL21097021 0.78 GBA1 (0.50) GBA1HRH4HRH3
SCHEMBL26699510 0.76 DRD2 (0.37) GBA1HRH4HRH3
SCHEMBL19406194 0.75 GBA1 (0.48) GBA1HRH4HRH3HSP90AB1
SCHEMBL23974875 0.75 GBA1 (0.47) GBA1HRH4HRH3
SCHEMBL18757224 0.74 GBA1 (0.47) GBA1HRH4HRH3
SCHEMBL19224835 0.73 GBA1 (0.46) GBA1HRH4HRH3

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-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 GBA1 4194/4885HRH4 2/4885HRH3 4/4885

“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.