SCHEMBL6403187

SCHEMBL6403187

Cc1ccc(-n2c(COc3ccccc3)nnc2SC(C)C)cc1

nearest known ligand 0.86

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
VCP P55072 13/20 0.86
PKM P14618 1/20 0.71
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 3/20 0.60
HTT P42858 3/20 0.60
NPSR1 Q6W5P4 3/20 0.60
ALDH1A1 P00352 2/20 0.60
USP2 O75604 2/20 0.60
TSHR P16473 2/20 0.60
TP53 P04637 1/20 0.60
ALOX15 P16050 1/20 0.60
MAPT P10636 1/20 0.57
SIRT2 Q8IXJ6 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
SCHEMBL6412224 0.88 PKM (0.92) VCPPKMSMN1; SMN2LMNAHTT
SCHEMBL6403317 0.83 PKM (1.00) VCPPKMSMN1; SMN2LMNAHTT
SCHEMBL6405241 0.80 L3MBTL1 (0.84) VCPPKMSMN1; SMN2LMNAHTT
SCHEMBL6405019 0.80 PKM (0.87) VCPPKMSMN1; SMN2LMNANPSR1
SCHEMBL6404082 0.78 RXRA (0.74) VCPPKMSMN1; SMN2LMNAHTT
SCHEMBL6404099 0.73 NPSR1 (0.65) VCPPKMSMN1; SMN2LMNAHTT
SCHEMBL16409978 0.72 SIRT2 (1.00) VCPSMN1; SMN2LMNAHTTNPSR1
SCHEMBL11887417 0.70 KMT2A (0.80) VCPSMN1; SMN2LMNAHTTNPSR1
SCHEMBL6403407 0.69 PKM (0.74) VCPPKMSMN1; SMN2LMNAALDH1A1
SCHEMBL6408696 0.68 ALDH1A1 (0.59) VCPSMN1; SMN2LMNAHTTNPSR1

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 VCP 876/4885PKM 2155/4885SMN1; 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.