SCHEMBL6407138

SCHEMBL6407138

N#Cc1ccccc1CSc1nnc(-c2cccnc2)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HPGD P15428 6/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.45
CTSB P07858 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CNR2 P34972 1/20 0.41
TP53 P04637 1/20 0.41
STAT1 P42224 1/20 0.41
LMNA P02545 2/20 0.40
CLK1 P49759 1/20 0.40
GAA P10253 1/20 0.39

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
SCHEMBL6408473 0.88 SMN1; SMN2 (0.55) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6403885 0.78 SMN1; SMN2 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6405499 0.75 ALDH1A1 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL6406930 0.75 ALDH1A1 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL16907285 0.72 BTK (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL9693032 0.71 HPGD (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL30630392 0.70 ESR2 (0.55) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL14856915 0.70 ESR2 (0.55) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL31264147 0.70 ESR2 (0.55) ALDH1A1HPGDMEN1KMT2AKDM4E
SCHEMBL6406665 0.70 NPY5R (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD

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 RAB9A 4278/4885NPC1 2070/4885SMN1; 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.