SCHEMBL6404027

SCHEMBL6404027

COc1ccc(OCc2nnc(S)n2-c2ccc(C)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 8/20 0.58
NPSR1 Q6W5P4 6/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 3/20 0.48
HTT P42858 3/20 0.48
GAA P10253 3/20 0.48
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45

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
SCHEMBL12768254 0.88 ALDH1A1 (0.58) L3MBTL1ALDH1A1NPSR1LMNAGAA
SCHEMBL6404676 0.81 L3MBTL1 (0.62) L3MBTL1ALDH1A1NPSR1POLBLMNA
SCHEMBL6411070 0.81 L3MBTL1 (0.62) L3MBTL1ALDH1A1NPSR1POLBLMNA
SCHEMBL11391926 0.80 KMT2A (0.49) L3MBTL1ALDH1A1NPSR1LMNAHTT
SCHEMBL11384854 0.80 TLR8 (0.44) L3MBTL1ALDH1A1NPSR1LMNAHTT
SCHEMBL6402514 0.77 OXTR (0.57) ALDH1A1NPSR1HTTUSP2HPGD
SCHEMBL11887412 0.77 VCP (0.61) NPSR1HTTMAPTPKM
SCHEMBL2551450 0.75 OXTR (0.56) L3MBTL1ALDH1A1POLBLMNAHTT
SCHEMBL11996348 0.75 L3MBTL1 (0.42) L3MBTL1ALDH1A1NPSR1POLBLMNA
SCHEMBL6405035 0.74 MAPT (0.53) ALDH1A1POLBLMNAHTTMAPT

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 2749/4885ALDH1A1 720/4885NPSR1 4536/4885

“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.