SCHEMBL6403470

SCHEMBL6403470

CCn1c(SCC(=O)NCc2ccccc2)nnc1-c1cccc(C)c1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.70
ALDH1A1 P00352 4/20 0.63
MAPK1 P28482 2/20 0.63
MAPT P10636 3/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2D6 P10635 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
LMNA P02545 1/20 0.62
GLA P06280 1/20 0.62
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 1/20 0.61
POLB P06746 1/20 0.61
GAA P10253 1/20 0.58
TDP1 Q9NUW8 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
SCHEMBL6405166 0.87 MAPT (0.71) ALDH1A1MAPTKMT2APOLBGAA
SCHEMBL18559221 0.86 ALDH1A1 (0.83) HTTALDH1A1MAPK1MAPTLMNA
SCHEMBL15983398 0.85 ALDH1A1 (0.80) HTTALDH1A1MAPK1MAPTLMNA
SCHEMBL15983410 0.79 TSHR (0.66) HTTALDH1A1MAPK1MAPTCYP3A4
SCHEMBL4209713 0.78 ALDH1A1 (0.79) ALDH1A1MAPK1MAPTLMNAMEN1
SCHEMBL4212044 0.78 MAPT (0.77) HTTALDH1A1MAPK1MAPTLMNA
SCHEMBL4203301 0.77 CYP1A2 (0.77) HTTALDH1A1MAPK1MAPTCYP3A4
SCHEMBL20682641 0.77 LMNA (0.65) HTTALDH1A1MAPK1MAPTCYP3A4
SCHEMBL19566994 0.77 TSHR (0.64) HTTALDH1A1MAPK1MAPTLMNA
SCHEMBL18559160 0.77 ALDH1A1 (1.00) ALDH1A1MAPK1MAPTLMNAKMT2A

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 HTT 2113/4885ALDH1A1 720/4885MAPK1 4613/4885

“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.