SCHEMBL6409048

SCHEMBL6409048

N#CCSc1nnc(-c2ccccc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
LMNA P02545 3/20 0.48
CTSB P07858 1/20 0.44
RAB9A P51151 4/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 1/20 0.42
HCRTR1 O43613 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPK1 P28482 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 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
SCHEMBL6403347 0.84 KMT2A (0.37) ALDH1A1LMNACTSBRAB9AMEN1
SCHEMBL6404879 0.81 ALDH1A1 (0.54) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL6404365 0.78 GRK6 (0.40) ALDH1A1MEN1KMT2A
SCHEMBL6408473 0.77 SMN1; SMN2 (0.55) ALDH1A1CTSBRAB9AMEN1KMT2A
SCHEMBL6410721 0.76 BCAT1 (0.40) ALDH1A1LMNACTSBRAB9AHTT
SCHEMBL6404441 0.75 ALPL (0.53) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL6406096 0.73 RAB9A (0.52) ALDH1A1RAB9ANPC1MAPK1TSHR
SCHEMBL14907754 0.72 GRK6 (0.56) ALDH1A1RAB9AMEN1KMT2ANPC1
SCHEMBL9331958 0.72 L3MBTL1 (0.53) ALDH1A1LMNARAB9AMEN1KMT2A
SCHEMBL9331949 0.72 NPC1 (0.47) ALDH1A1LMNARAB9ANPC1KDM4E

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 ALDH1A1 720/4885LMNA 4116/4885CTSB 872/4885

“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.