SCHEMBL6405317

SCHEMBL6405317

Cc1cccc(-c2nnc(SCCN3CCOCC3)[nH]2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 8/20 0.47
MAPT P10636 2/20 0.47
ALOX15 P16050 1/20 0.47
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.42
KDM4E B2RXH2 3/20 0.41
HTT P42858 2/20 0.41
POLB P06746 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 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
SCHEMBL6406938 0.81 SIGMAR1 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6404179 0.79 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6408386 0.75 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1LMNA
SCHEMBL6412174 0.75 ALDH1A1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6404737 0.74 TNKS (0.46) RAB9AALDH1A1KDM4EHTTPOLB
SCHEMBL14907872 0.73 MAPT (0.57) RAB9ANPC1MAPTNPSR1LMNA
Hydrochloric Acid SCHEMBL10492880 0.70 RAB9A (0.73) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL16171163 0.70 GRK6 (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1MAPT
SCHEMBL6405045 0.70 GRK6 (0.60) RAB9ANPC1ALDH1A1MAPTKDM4E
SCHEMBL6406126 0.70 CYP1A2 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1NPSR1

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.