SCHEMBL24704141

SCHEMBL24704141

Cc1nc(C)c(C)c(NC(C)c2ccc(-c3nc(C4CC4)no3)cc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ USP7 Q93009 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LMNA P02545 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ AOC3 Q16853 2/20 0.36

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
SCHEMBL22862681 1.00 NPC1 (0.44) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL22862939 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL22862674 0.89 NPC1 (0.43) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL24704299 0.86 CA1 (0.42) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL22862435 0.84 CA1 (0.42) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL22862704 0.84 CA1 (0.42) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL22862431 0.82 EGFR (0.39) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL29490298 0.82 EGFR (0.39) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL22862811 0.82 EGFR (0.39) NPC1RAB9ASMN1; SMN2PDE10ACA1
SCHEMBL22862582 0.82 PDE10A (0.43) NPC1RAB9ASMN1; SMN2PDE10ACA1

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-20220389028-A1 BAX INHIBITORS AND USES THEREOF CASE WESTERN RESERVE UNIVERSITY 2022-12-08 — — 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-20220389028-A1 BAX INHIBITORS AND USES THEREOF BAX, TMBIM6, BCL2 NPC1 2708/4885RAB9A 1715/4885SMN1; SMN2 2633/4885

“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.

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