SCHEMBL3786993

SCHEMBL3786993

CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(NC(=O)OC3CCOC3)ncnc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.64
KDM4E B2RXH2 3/20 0.64
ALDH1A1 P00352 3/20 0.64
VCP P55072 4/20 0.50
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PSMC4 P43686 1/20 0.48
KDR P35968 8/20 0.48
EGFR P00533 3/20 0.48
SRC P12931 3/20 0.48
RIPK2 O43353 2/20 0.48
ABL1 P00519 2/20 0.48
LCK P06239 2/20 0.48
FYN P06241 2/20 0.48
YES1 P07947 2/20 0.48
LYN P07948 2/20 0.48
PDGFRA P16234 2/20 0.48
PRKACA P17612 2/20 0.48
FRK P42685 2/20 0.48
MAPK9 P45984 2/20 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
SCHEMBL13020119 1.00 HTT (0.64) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL13020083 1.00 HTT (0.64) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL13020196 0.85 HTT (0.67) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL3782302 0.82 HTT (0.80) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL13020199 0.80 HTT (0.76) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL13020082 0.79 HTT (0.74) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL13020025 0.79 HTT (0.70) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL3781673 0.79 HTT (1.00) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL13020238 0.78 HTT (0.73) HTTKDM4EALDH1A1VCPLMNA
SCHEMBL13020022 0.78 HTT (0.73) HTTKDM4EALDH1A1VCPLMNA

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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 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-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B HTT 187/4885KDM4E 4425/4885ALDH1A1 3475/4885

“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.