SCHEMBL6404570

SCHEMBL6404570

C=C(C)Cn1c(S)nnc1-c1ccccc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 4/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.43
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HSD11B1 P28845 1/20 0.40
HTT P42858 3/20 0.40
GAA P10253 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
HIF1A Q16665 1/20 0.40
CPB1 P15086 1/20 0.40
TP53 P04637 1/20 0.39
KDM4E B2RXH2 3/20 0.39
ALOX15 P16050 3/20 0.39
LMNA P02545 3/20 0.39
HSD17B10 Q99714 2/20 0.39
POLB P06746 2/20 0.39

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
SCHEMBL28820656 0.80 GAA (0.58) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL6406802 0.78 KMT2A (0.57) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL6406974 0.77 KMT2A (0.63) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL4206866 0.76 ALDH1A1 (0.56) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL2889816 0.73 KDM4E (0.52) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL4210808 0.71 HSD11B1 (0.54) KMT2AALDH1A1NPC1HPGDHSD11B1
SCHEMBL12110607 0.71 ALDH1A1 (0.55) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL4207961 0.70 ALDH1A1 (0.42) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL930747 0.69 CYP3A4 (0.57) KMT2AALDH1A1NPC1RAB9AHPGD
SCHEMBL4215117 0.68 MAPT (0.41) KMT2AALDH1A1NPC1RAB9AHPGD

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 KMT2A 2263/4885ALDH1A1 720/4885NPC1 2070/4885

“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.