SCHEMBL13020124

SCHEMBL13020124

CC(C)(C)n1nc(Oc2cccc(Cl)c2)c2c(NC(=O)C3CCCC3)ncnc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
EGFR P00533 2/20 0.42
SRC P12931 2/20 0.42
VCP P55072 4/20 0.41
GSK3B P49841 5/20 0.40
PSMC4 P43686 1/20 0.39
KDR P35968 2/20 0.38
RET P07949 1/20 0.38
MGLL Q99685 2/20 0.36

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
SCHEMBL13020180 0.86 KDM4E (0.48) ABL1KDM4EALDH1A1HTTEGFR
SCHEMBL13020203 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HTTEGFRSRC
SCHEMBL13020171 0.84 KDM4E (0.46) KDM4EALDH1A1HTTEGFRSRC
SCHEMBL13020126 0.84 VCP (0.49) KDM4EALDH1A1HTTEGFRSRC
SCHEMBL3791047 0.83 VCP (0.46) KDM4EALDH1A1HTTEGFRSRC
SCHEMBL13020022 0.77 HTT (0.73) ABL1KDM4EALDH1A1HTTEGFR
SCHEMBL13020238 0.75 HTT (0.73) ABL1KDM4EALDH1A1HTTEGFR
SCHEMBL3788091 0.75 SRC (0.60) ABL1EGFRSRCKDRRET
SCHEMBL5063322 0.75 VCP (0.67) ABL1KDM4EALDH1A1HTTEGFR
SCHEMBL13020166 0.74 GSK3B (0.49) EGFRSRCGSK3BKDR

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 2 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

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 ABL1 1725/4885KDM4E 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.