SCHEMBL6405554

SCHEMBL6405554

CC(C)=CCSc1nnc(C)n1Cc1ccco1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANXA2 P07355 1/20 0.54
S100A10 P60903 1/20 0.54
ALDH1A1 P00352 10/20 0.52
LMNA P02545 3/20 0.52
NPSR1 Q6W5P4 3/20 0.52
MAPT P10636 3/20 0.52
NPC1 O15118 2/20 0.52
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 6/20 0.48
HSD17B10 Q99714 4/20 0.48
POLB P06746 3/20 0.48
RECQL P46063 3/20 0.48
GAA P10253 2/20 0.48
OPRK1 P41145 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
APEX1 P27695 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48

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
SCHEMBL6404093 0.79 TSHR (0.74) ALDH1A1LMNANPSR1MAPTNPC1
SCHEMBL19281531 0.74 ALDH1A1 (0.46) ANXA2S100A10ALDH1A1LMNANPSR1
SCHEMBL16303889 0.73 OPRK1 (0.71) ANXA2S100A10ALDH1A1LMNANPSR1
SCHEMBL19289677 0.71 ANXA2 (0.70) ANXA2S100A10ALDH1A1LMNANPSR1
SCHEMBL19289675 0.69 ANXA2 (0.58) ANXA2S100A10ALDH1A1LMNANPSR1
SCHEMBL13856859 0.69 ALDH1A1 (0.58) ALDH1A1LMNANPSR1MAPTNPC1
SCHEMBL11279599 0.68 LMNA (0.57) ALDH1A1LMNANPSR1MAPTNPC1
SCHEMBL14793438 0.68 OPRK1 (0.76) ALDH1A1LMNANPSR1MAPTTSHR
SCHEMBL5336422 0.66 ALPL (0.71) ALDH1A1LMNAMAPTNPC1HPGD
SCHEMBL20446691 0.65 ALDH1A1 (0.47) ALDH1A1NPSR1MAPTHPGDTSHR

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 ANXA2 3914/4885S100A10 4663/4885ALDH1A1 720/4885

“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.