SCHEMBL6404820

SCHEMBL6404820

Cc1ccc(-n2c(SCC(=O)O)nnc2-c2cccnc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.76
MEN1 O00255 3/20 0.76
GAA P10253 1/20 0.76
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
ALDH1A1 P00352 6/20 0.66
SMN1; SMN2 Q16637 1/20 0.63
MAPT P10636 3/20 0.60
HTT P42858 1/20 0.60
HPGD P15428 2/20 0.60
HSD17B10 Q99714 1/20 0.59
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
ABL1 P00519 1/20 0.58
LMNA P02545 1/20 0.58
RIN1 Q13671 1/20 0.58

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
SCHEMBL6412039 0.90 MAPT (0.72) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL19163369 0.87 ALDH1A1 (0.68) KMT2AMEN1GAAALDH1A1MAPT
SCHEMBL6411001 0.85 HTT (0.67) KMT2AMEN1GAACYP3A4CYP2C9
SCHEMBL5338687 0.83 MAPT (0.76) KMT2AMEN1CYP3A4CYP2C9CYP2C19
SCHEMBL15983619 0.83 MEN1 (0.65) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL6404125 0.83 GAA (0.71) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL15983434 0.83 ALDH1A1 (0.77) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL18556583 0.82 RECQL (0.62) KMT2AMEN1GAACYP1A2CYP3A4
SCHEMBL5480773 0.82 ALDH1A1 (0.78) GAAALDH1A1SMN1; SMN2MAPTTSHR
SCHEMBL5711647 0.82 ALDH1A1 (0.78) GAAALDH1A1SMN1; SMN2MAPTTSHR

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 KMT2A 2263/4885MEN1 3562/4885GAA 85/4885

“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.