SCHEMBL6411070

SCHEMBL6411070

COc1ccc(NCc2nnc(S)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.62
POLB P06746 1/20 0.58
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
TDP1 Q9NUW8 2/20 0.55
CYP1A2 P05177 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
SAE1 Q9UBE0 1/20 0.47
UBA2 Q9UBT2 1/20 0.47
GAA P10253 6/20 0.45
MAPT P10636 3/20 0.45
HTT P42858 2/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
CCNE1 P24864 1/20 0.44

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
SCHEMBL6404676 1.00 L3MBTL1 (0.62) L3MBTL1SMN1; SMN2LMNAPOLBCYP3A4
SCHEMBL6403486 0.88 L3MBTL1 (0.49) L3MBTL1SMN1; SMN2LMNAPOLBCYP3A4
SCHEMBL6404748 0.85 GAA (0.60) L3MBTL1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6404661 0.85 KMT2A (0.51) L3MBTL1SMN1; SMN2LMNAPOLBCYP3A4
SCHEMBL6404027 0.81 L3MBTL1 (0.60) L3MBTL1SMN1; SMN2LMNAPOLBNPSR1
SCHEMBL11391926 0.77 KMT2A (0.49) L3MBTL1LMNACYP3A4CYP2C9CYP2C19
SCHEMBL30366678 0.77 CYP3A4 (0.63) L3MBTL1SMN1; SMN2LMNAPOLBCYP3A4
SCHEMBL11384854 0.77 TLR8 (0.44) L3MBTL1SMN1; SMN2LMNACYP3A4CYP2C9
SCHEMBL6405215 0.76 GAA (0.62) L3MBTL1SMN1; SMN2LMNAPOLBKMT2A
SCHEMBL6406630 0.76 GAA (0.62) L3MBTL1SMN1; SMN2LMNACYP3A4CYP2C9

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 L3MBTL1 2749/4885SMN1; SMN2 4793/4885LMNA 4116/4885

“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.