SCHEMBL6408940

SCHEMBL6408940

COc1ccc(-c2nnc(SCc3cccnc3)[nH]2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
ALDH1A1 P00352 3/20 0.47
HTT P42858 1/20 0.47
GFER P55789 3/20 0.46
CYP19A1 P11511 1/20 0.45
PKM P14618 2/20 0.45
TP53 P04637 1/20 0.45
KDM4E B2RXH2 2/20 0.44
DAO P14920 1/20 0.44
PPARG P37231 1/20 0.43
NCOA2 Q15596 1/20 0.43
NCOA1 Q15788 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
HPGD P15428 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 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
SCHEMBL6405373 0.85 GSK3A (0.50) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6408555 0.80 CYP2D6 (0.45) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL5441886 0.79 MAPK14 (0.55) NPC1RAB9ASMN1; SMN2LMNAGFER
SCHEMBL6015609 0.77 RAB9A (0.57) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6410739 0.75 LMNA (0.46) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL10325886 0.74 NPC1 (0.58) NPC1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL6481746 0.73 CYP2E1 (0.76) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL6481741 0.73 NPC1 (0.65) NPC1RAB9ASMN1; SMN2LMNAPKM
SCHEMBL6403885 0.72 SMN1; SMN2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL6407548 0.72 CYP2C9 (0.52) NPC1RAB9AALDH1A1HTTKDM4E

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.