SCHEMBL6404590

SCHEMBL6404590

CCn1c(SCc2ccc(C(C)(C)C)cc2)nnc1-c1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.77
LMNA P02545 2/20 0.77
KDM4E B2RXH2 1/20 0.77
GAA P10253 1/20 0.58
MAPT P10636 1/20 0.57
NPSR1 Q6W5P4 1/20 0.55
TSHR P16473 3/20 0.54
CYP3A4 P08684 2/20 0.54
CDC25A P30304 1/20 0.53
CDC25B P30305 1/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
POLB P06746 1/20 0.52
HDAC2 Q92769 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK1 P28482 1/20 0.51
HIF1A Q16665 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50

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
SCHEMBL4211607 0.90 ALDH1A1 (0.76) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL22047108 0.90 ALDH1A1 (0.86) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL4212548 0.89 ALDH1A1 (0.84) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL4211826 0.87 ALDH1A1 (1.00) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL6433077 0.86 ALDH1A1 (0.80) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL4204209 0.86 LMNA (0.80) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL6404081 0.86 GAA (0.61) ALDH1A1LMNAKDM4EGAANPSR1
SCHEMBL4203868 0.86 TSHR (0.71) ALDH1A1LMNAKDM4EMAPTTSHR
SCHEMBL22046629 0.85 ALDH1A1 (0.79) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL4203793 0.84 LMNA (0.77) ALDH1A1LMNAKDM4EGAAMAPT

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 720/4885LMNA 4116/4885KDM4E 3676/4885

“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.