SCHEMBL3782041

SCHEMBL3782041

CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(NC(=O)C(=O)c3ccccc3)ncnc21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.73
KDM4E B2RXH2 4/20 0.73
ALDH1A1 P00352 4/20 0.73
VCP P55072 7/20 0.64
PSMC4 P43686 1/20 0.62
LMNA P02545 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
SRC P12931 6/20 0.54
ABL1 P00519 4/20 0.54
EGFR P00533 4/20 0.54
KDR P35968 3/20 0.54
BTK Q06187 3/20 0.54
RIPK2 O43353 2/20 0.54
LCK P06239 2/20 0.54
FYN P06241 2/20 0.54
YES1 P07947 2/20 0.54
LYN P07948 2/20 0.54
PDGFRA P16234 2/20 0.54
PRKACA P17612 2/20 0.54
FRK P42685 2/20 0.54

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
SCHEMBL13019726 0.87 HTT (0.84) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL3784196 0.85 HTT (0.74) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL3781673 0.84 HTT (1.00) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL13020198 0.84 HTT (0.76) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL3782302 0.83 HTT (0.80) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL5066872 0.82 VCP (0.73) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL13019971 0.82 KDM4E (0.69) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL13019982 0.82 HTT (0.78) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL13020027 0.82 HTT (0.78) HTTKDM4EALDH1A1VCPPSMC4
SCHEMBL13020021 0.82 HTT (0.78) HTTKDM4EALDH1A1VCPPSMC4

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 3 patents. 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
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING FOLDRX PHARMACEUTICALS, INC. (US) 2010-12-30 US disclosed
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.