SCHEMBL6404280

SCHEMBL6404280

Clc1ccccc1CSc1nnc(COc2ccccc2)n1-c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.72
VCP P55072 7/20 0.66
NPSR1 Q6W5P4 5/20 0.65
MAPT P10636 3/20 0.65
CYP1A2 P05177 2/20 0.65
CYP3A4 P08684 2/20 0.65
CYP2D6 P10635 2/20 0.65
CYP2C9 P11712 2/20 0.65
CYP2C19 P33261 2/20 0.65
ALDH1A1 P00352 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
GAA P10253 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.60
NPC1 O15118 1/20 0.57
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
USP2 O75604 1/20 0.56

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
SCHEMBL6404099 0.92 NPSR1 (0.65) SIRT2VCPNPSR1MAPTCYP1A2
SCHEMBL16409978 0.84 SIRT2 (1.00) SIRT2VCPNPSR1MAPTCYP1A2
SCHEMBL6406624 0.82 TSHR (0.64) SIRT2VCPNPSR1MAPTCYP1A2
SCHEMBL31160453 0.77 ALDH1A1 (0.52) SIRT2NPSR1MAPTCYP1A2CYP3A4
SCHEMBL11887417 0.77 KMT2A (0.80) SIRT2VCPNPSR1MAPTCYP1A2
SCHEMBL17679308 0.76 SIRT2 (1.00) SIRT2VCPNPSR1MAPTCYP1A2
SCHEMBL16409996 0.74 SIRT2 (1.00) SIRT2VCPNPSR1MAPTCYP1A2
SCHEMBL31160427 0.74 HPGD (0.51) SIRT2NPSR1MAPTCYP1A2CYP3A4
SCHEMBL11887418 0.71 MAPT (0.71) SIRT2VCPNPSR1MAPTCYP1A2
SCHEMBL6403236 0.70 MAPK1 (0.62) NPSR1MAPTALDH1A1MEN1KMT2A

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 SIRT2 2635/4885VCP 876/4885NPSR1 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.