SCHEMBL6406023

SCHEMBL6406023

COC(=O)c1ccc(CSc2nnc(-c3cccc(C)c3)[nH]2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK14 Q16539 1/20 0.47
TP53 P04637 3/20 0.46
MMP13 P45452 1/20 0.45
POLB P06746 2/20 0.45
RECQL P46063 1/20 0.44
GAA P10253 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
MAPK1 P28482 2/20 0.44
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TSHR P16473 2/20 0.42

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
SCHEMBL6403939 0.88 VCP (0.50) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL14907889 0.80 POLB (0.52) SMN1; SMN2MAPTLMNAALDH1A1TP53
SCHEMBL6406951 0.79 NPC1 (0.57) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6405948 0.78 ALDH1A1 (0.55) RAB9ASMN1; SMN2MAPTLMNAALDH1A1
SCHEMBL6406549 0.77 MAPT (0.51) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL16171163 0.76 GRK6 (0.48) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL6405045 0.76 GRK6 (0.60) NPC1RAB9AMAPTALDH1A1KDM4E
SCHEMBL6407005 0.75 ACMSD (0.45) LMNAALDH1A1TP53POLBMEN1
SCHEMBL6411187 0.75 GRK6 (0.47) RAB9ASMN1; SMN2MAPTALDH1A1TP53
SCHEMBL6405968 0.74 HDAC6 (0.52) NPC1RAB9ASMN1; SMN2MAPTLMNA

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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT NPC1 2070/4885RAB9A 4278/4885SMN1; SMN2 4793/4885

“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.