SCHEMBL6404992

SCHEMBL6404992

O=C(CSc1nnc(CC2CCCCC2)n1-c1ccccc1)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.53
ALDH1A1 P00352 7/20 0.52
VCP P55072 3/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 1/20 0.48
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.47
ALOX15 P16050 1/20 0.46

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
SCHEMBL6403551 0.84 ALDH1A1 (0.64) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL6404213 0.77 MEN1 (0.62) PKMALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6404260 0.75 MEN1 (0.60) PKMALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6409643 0.74 TP53 (0.65) PKMALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6405988 0.74 ALDH1A1 (0.57) PKMALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL5334182 0.74 PKM (0.89) PKMALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6410767 0.74 KDM4E (0.55) PKMALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL6404543 0.74 MAPT (0.64) PKMALDH1A1CYP3A4CYP2C19MEN1
SCHEMBL6405086 0.74 MAPT (0.61) ALDH1A1CYP3A4CYP2C9SMN1; SMN2HSD17B10
SCHEMBL6403977 0.73 LMNA (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2L3MBTL1

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 PKM 2155/4885ALDH1A1 720/4885VCP 876/4885

“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.