SCHEMBL6406050

SCHEMBL6406050

CCC(c1ccccc1)c1nnc(SCc2ccccc2)n1CCc1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
TP53 P04637 1/20 0.48
LMNA P02545 4/20 0.46
TSHR P16473 3/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HTT P42858 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 5/20 0.42
CYP3A4 P08684 4/20 0.42
CYP1A2 P05177 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP2C9 P11712 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL6405487 0.78 SSTR4 (0.56) MEN1KMT2ASMN1; SMN2TP53LMNA
SCHEMBL6408118 0.75 L3MBTL1 (0.67) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL4202689 0.70 ALDH1A1 (0.71) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL6404966 0.69 SSTR4 (0.63) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL6406874 0.67 LMNA (0.65) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL29020553 0.66 MEN1 (0.58) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL4207042 0.65 LMNA (0.76) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL2356591 0.65 HTR2A (0.48) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL6403164 0.64 LMNA (0.65) MEN1KMT2ASMN1; SMN2TP53LMNA
SCHEMBL4198088 0.64 RAB9A (0.73) SMN1; SMN2TSHRNPSR1RAB9AALDH1A1

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 MEN1 3562/4885KMT2A 2263/4885SMN1; SMN2 4793/4885

“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.