SCHEMBL6405948

SCHEMBL6405948

CCOC(=O)c1ccc(CSc2nnc(-c3cccc(C)c3)[nH]2)o1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.55
RAB9A P51151 3/20 0.48
GFER P55789 1/20 0.48
HPGD P15428 3/20 0.48
POLB P06746 1/20 0.48
TSHR P16473 3/20 0.47
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 4/20 0.44
HSD17B10 Q99714 5/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALOX15 P16050 1/20 0.42
CREBBP Q92793 1/20 0.42
MAPT P10636 3/20 0.42
GLA P06280 2/20 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
SCHEMBL6404847 0.90 ALDH1A1 (0.59) ALDH1A1RAB9AGFERHPGDPOLB
SCHEMBL5376856 0.82 ALDH1A1 (0.52) ALDH1A1RAB9AGFERHPGDPOLB
SCHEMBL6406023 0.78 NPC1 (0.47) ALDH1A1RAB9AHPGDPOLBTSHR
SCHEMBL6403939 0.76 VCP (0.50) ALDH1A1RAB9AHPGDPOLBKMT2A
SCHEMBL5376644 0.75 ALDH1A1 (0.56) ALDH1A1RAB9AGFERHPGDPOLB
SCHEMBL5371958 0.75 ALDH1A1 (0.56) ALDH1A1RAB9AGFERHPGDPOLB
SCHEMBL5378895 0.74 ALDH1A1 (0.54) ALDH1A1RAB9AGFERHPGDPOLB
SCHEMBL6405045 0.73 GRK6 (0.60) ALDH1A1RAB9AHPGDKMT2AHSD17B10
SCHEMBL16171163 0.73 GRK6 (0.48) ALDH1A1RAB9APOLBKMT2AMEN1
SCHEMBL14907889 0.72 POLB (0.52) ALDH1A1HPGDPOLBKMT2AMEN1

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 720/4885RAB9A 4278/4885GFER 932/4885

“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.