SCHEMBL13020171

SCHEMBL13020171

CC(C)C(=O)Nc1ncnc2c1c(Oc1cccc(Cl)c1)nn2C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HTT P42858 2/20 0.46
SRC P12931 2/20 0.44
VCP P55072 4/20 0.43
PSMC4 P43686 1/20 0.41
EGFR P00533 3/20 0.39
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RY1 P47900 1/20 0.37
OGG1 O15527 1/20 0.36
PTGER4 P35408 1/20 0.36
CCR4 P51679 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BRAF P15056 1/20 0.36
RET P07949 1/20 0.36
MEN1 O00255 1/20 0.36
LCK P06239 1/20 0.35
BTK Q06187 1/20 0.35

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 0.89 KDM4E (0.48) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020126 0.87 VCP (0.49) KDM4EALDH1A1HTTSRCVCP
SCHEMBL3791047 0.86 VCP (0.46) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020203 0.85 ALDH1A1 (0.44) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020124 0.84 ABL1 (0.44) KDM4EALDH1A1HTTSRCVCP
SCHEMBL3788091 0.78 SRC (0.60) SRCEGFRRETLCKBTK
SCHEMBL13020021 0.75 HTT (0.78) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020233 0.73 KDM4E (0.47) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13840202 0.71 KDM4E (0.46) KDM4EALDH1A1HTTSRCVCP
SCHEMBL13020198 0.68 HTT (0.76) KDM4EALDH1A1HTTSRCVCP

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 KDM4E 4425/4885ALDH1A1 3475/4885HTT 187/4885

“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.