SCHEMBL6405968

SCHEMBL6405968

Cc1cccc(-c2nnc(SCC(=O)c3ccccc3)[nH]2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.52
GAA P10253 1/20 0.52
PTGES O14684 1/20 0.50
ALDH1A1 P00352 7/20 0.48
RAB9A P51151 3/20 0.48
KDM4E B2RXH2 2/20 0.48
MAPT P10636 8/20 0.47
LMNA P02545 5/20 0.47
GRK6 P43250 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
NPC1 O15118 2/20 0.46
HPGD P15428 7/20 0.46
TSHR P16473 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL31140787 0.90 LMNA (0.61) HDAC6GAAALDH1A1RAB9AMAPT
SCHEMBL23527219 0.90 LMNA (0.61) HDAC6GAAALDH1A1RAB9AMAPT
SCHEMBL6405045 0.88 GRK6 (0.60) ALDH1A1RAB9AKDM4EMAPTGRK6
SCHEMBL23527338 0.87 PTGES (0.59) HDAC6GAAPTGESALDH1A1RAB9A
SCHEMBL23527319 0.86 HPGD (0.57) HDAC6GAAPTGESALDH1A1RAB9A
SCHEMBL23527277 0.86 GAA (0.61) HDAC6GAAPTGESALDH1A1RAB9A
SCHEMBL16171163 0.85 GRK6 (0.48) ALDH1A1RAB9AKDM4EMAPTLMNA
SCHEMBL6411187 0.84 GRK6 (0.47) ALDH1A1RAB9AKDM4EMAPTGRK6
SCHEMBL23527345 0.82 PTGES (0.53) HDAC6GAAPTGESALDH1A1RAB9A
SCHEMBL14907889 0.82 POLB (0.52) GAAALDH1A1KDM4EMAPTLMNA

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 HDAC6 2442/4885GAA 85/4885PTGES 1502/4885

“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.