SCHEMBL6409749

SCHEMBL6409749

CCn1c(S)nnc1COc1ccccc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
PKM P14618 4/20 0.58
RAB9A P51151 1/20 0.47
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
TSHR P16473 2/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
USP2 O75604 2/20 0.42
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
MAPK1 P28482 2/20 0.41
APP P05067 1/20 0.41
TDP1 Q9NUW8 2/20 0.41
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6404731 0.85 ALDH1A1 (0.59) MEN1KMT2APKMRAB9ATSHR
SCHEMBL6402280 0.82 RAB9A (0.56) MEN1KMT2APKMRAB9AMAPT
SCHEMBL10012011 0.81 TSHR (0.52) MEN1KMT2APKMRAB9AMAPT
SCHEMBL6405035 0.79 MAPT (0.53) MEN1KMT2APKMRAB9AMAPT
SCHEMBL14825089 0.73 PKM (1.00) MEN1KMT2APKMRAB9AMAPT
SCHEMBL12768261 0.68 RAB9A (0.56) MEN1KMT2APKMRAB9APOLB
SCHEMBL6410076 0.68 KMT2A (0.48) KMT2ARAB9AMAPTPOLBTSHR
SCHEMBL14825090 0.66 PKM (1.00) MEN1KMT2APKMRAB9AMAPT
SCHEMBL19520387 0.65 MEN1 (0.32) MEN1KMT2AALDH1A1
SCHEMBL6405892 0.65 MAPT (0.60) MEN1KMT2AMAPTPOLBTSHR

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 2263/4885PKM 2155/4885

“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.