SCHEMBL6407969

SCHEMBL6407969

Cc1ccc(-n2c(SC(C)C(=O)O)nnc2-c2cccnc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.73
KMT2A Q03164 5/20 0.66
ALDH1A1 P00352 5/20 0.66
MEN1 O00255 3/20 0.66
POLB P06746 1/20 0.66
GAA P10253 2/20 0.59
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
PKM P14618 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
ABL1 P00519 1/20 0.50
LMNA P02545 1/20 0.50
RIN1 Q13671 1/20 0.50
MAPT P10636 2/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL6406110 0.93 HPGD (0.73) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL6402672 0.86 DGAT1 (0.57) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL18559298 0.85 HPGD (1.00) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL18559333 0.85 HPGD (1.00) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL1544781 0.82 ALDH1A1 (0.73) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL6404820 0.81 KMT2A (0.76) HPGDKMT2AALDH1A1MEN1GAA
SCHEMBL6408220 0.80 ALDH1A1 (1.00) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL6406153 0.77 HPGD (0.58) HPGDKMT2AALDH1A1MEN1GAA
SCHEMBL13831602 0.77 HPGD (0.86) HPGDKMT2AALDH1A1MEN1POLB
SCHEMBL6404125 0.75 GAA (0.71) HPGDKMT2AALDH1A1MEN1GAA

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 HPGD 835/4885KMT2A 2263/4885ALDH1A1 720/4885

“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.