SCHEMBL6407620

SCHEMBL6407620

CCOC(=O)CCSc1nnc(-c2cccc(C(F)(F)F)c2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 2/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
PIN1 Q13526 1/20 0.45
XPO1 O14980 1/20 0.45
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
MAPT P10636 2/20 0.43
GRK6 P43250 1/20 0.42
F2 P00734 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL6410250 0.80 HRH1 (0.46) ALDH1A1SMN1; SMN2GAAHPGDKDM4E
SCHEMBL21763890 0.80 MAPK14 (0.53) ALDH1A1L3MBTL1SMN1; SMN2GAAHPGD
SCHEMBL18540506 0.79 GRK6 (0.50) ALDH1A1L3MBTL1POLBSMN1; SMN2GAA
SCHEMBL6404690 0.79 CYP1A2 (0.53) ALDH1A1L3MBTL1MAPK1POLBSMN1; SMN2
SCHEMBL14907729 0.78 GRK6 (0.63) ALDH1A1POLBSMN1; SMN2KDM4EGRIN1
SCHEMBL6404359 0.76 HRH1 (0.49) MAPK1POLBPIN1KMT2AMEN1
SCHEMBL14907872 0.72 MAPT (0.57) L3MBTL1MAPK1GAAHPGDKDM4E
SCHEMBL6405975 0.72 HRH1 (0.44) ALDH1A1SMN1; SMN2GAAHPGDKDM4E
SCHEMBL16171055 0.72 GRK6 (0.52) ALDH1A1KDM4EPIN1KMT2AMAPT
SCHEMBL11233673 0.69 L3MBTL1 (0.46) ALDH1A1L3MBTL1MAPK1POLBSMN1; SMN2

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 ALDH1A1 720/4885L3MBTL1 2749/4885MAPK1 4613/4885

“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.