SCHEMBL3785337

SCHEMBL3785337

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCP P55072 6/20 0.64
PSMC4 P43686 1/20 0.64
KDM4E B2RXH2 5/20 0.60
HTT P42858 5/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
SRC P12931 4/20 0.50
ABL1 P00519 3/20 0.50
RET P07949 3/20 0.49
KDR P35968 3/20 0.48
EGFR P00533 4/20 0.47
BTK Q06187 4/20 0.47
MAPT P10636 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
RIPK2 O43353 2/20 0.44
LCK P06239 2/20 0.44
FYN P06241 2/20 0.44
YES1 P07947 2/20 0.44
LYN P07948 2/20 0.44

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
SCHEMBL5066872 0.93 VCP (0.73) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL13019743 0.91 HTT (0.59) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL5063431 0.87 VCP (0.68) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL5063574 0.87 VCP (0.68) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL3695973 0.86 HTT (0.80) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL13019748 0.85 HTT (0.65) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL13020230 0.81 VCP (0.53) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL5064857 0.80 VCP (0.68) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL3687162 0.80 HTT (0.69) VCPPSMC4KDM4EHTTALDH1A1
SCHEMBL3782041 0.80 HTT (0.73) VCPPSMC4KDM4EHTTALDH1A1

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 6 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
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
US-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRx PHARMACEUTICALS, INC (US) 2010-10-28 US disclosed
WO-2007126841-A2 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY FOLDRX PHARMACEUTICALS, INC. (US) 2007-11-08 WO 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 (2 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-20100273776-A1 INHIBITION OF ALPHA-SYNUCLEIN TOXICITY SNCA, PARK7, PINK1 VCP 391/4885PSMC4 1494/4885KDM4E 4683/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B VCP 146/4885PSMC4 593/4885KDM4E 4425/4885

“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.