SCHEMBL6433077

SCHEMBL6433077

CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cccnc1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.80
LMNA P02545 2/20 0.80
KDM4E B2RXH2 1/20 0.80
CDC25A P30304 1/20 0.69
CDC25B P30305 1/20 0.69
GAA P10253 1/20 0.61
TSHR P16473 4/20 0.59
MAPT P10636 2/20 0.59
NPSR1 Q6W5P4 1/20 0.57
CYP3A4 P08684 1/20 0.56
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
POLB P06746 1/20 0.54
HSD17B10 Q99714 1/20 0.53
MAPK1 P28482 1/20 0.53

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
SCHEMBL22047108 0.92 ALDH1A1 (0.86) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4212548 0.91 ALDH1A1 (0.84) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL22046629 0.90 ALDH1A1 (0.79) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4211826 0.89 ALDH1A1 (1.00) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4204209 0.88 LMNA (0.80) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4203424 0.88 ALDH1A1 (0.72) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL18183449 0.87 CYP3A4 (0.67) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL4203793 0.86 LMNA (0.77) ALDH1A1LMNAKDM4EGAATSHR
SCHEMBL6404590 0.86 ALDH1A1 (0.77) ALDH1A1LMNAKDM4ECDC25ACDC25B
SCHEMBL4214464 0.86 LMNA (0.77) ALDH1A1LMNAKDM4ECDC25ACDC25B

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.