SCHEMBL6405086

SCHEMBL6405086

O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)OCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.61
POLB P06746 4/20 0.59
HSD17B10 Q99714 3/20 0.59
TSHR P16473 2/20 0.59
ALOX15 P16050 1/20 0.59
PTK2 Q05397 3/20 0.58
HTT P42858 2/20 0.58
HDAC3 O15379 2/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
ALDH1A1 P00352 5/20 0.57
RECQL P46063 1/20 0.57
HPGD P15428 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
TACR1 P25103 1/20 0.56
RGS12 O14924 1/20 0.56
LMNA P02545 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
SCHEMBL6404213 0.93 MEN1 (0.62) MAPTPOLBHSD17B10TSHRALOX15
SCHEMBL6409643 0.90 TP53 (0.65) MAPTPOLBHSD17B10TSHRALOX15
SCHEMBL6404543 0.89 MAPT (0.64) MAPTPOLBHSD17B10TSHRALOX15
SCHEMBL6403977 0.88 LMNA (0.56) MAPTPOLBHSD17B10TSHRPTK2
SCHEMBL6404294 0.85 MEN1 (0.53) MAPTPOLBHSD17B10TSHRALOX15
SCHEMBL6403249 0.85 MAPK1 (0.57) MAPTHSD17B10TSHRALOX15HTT
SCHEMBL6404073 0.84 ALDH1A1 (0.63) MAPTPOLBHTTALDH1A1HPGD
SCHEMBL6404260 0.84 MEN1 (0.60) POLBHSD17B10TSHRALOX15HTT
SCHEMBL6405988 0.83 ALDH1A1 (0.57) HSD17B10TSHRALOX15ALDH1A1RECQL
SCHEMBL6403651 0.83 CYP1A2 (0.61) MAPTHSD17B10TSHRALOX15ALDH1A1

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 MAPT 2111/4885POLB 854/4885HSD17B10 1270/4885

“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.