SCHEMBL3689010

SCHEMBL3689010

CCOC(=O)c1cnc2c(c(-c3ccc(C)cc3)nn2C(C)(C)C)c1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.54
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 6/20 0.48
LMNA P02545 5/20 0.48
HPGD P15428 4/20 0.48
HTT P42858 3/20 0.48
RIPK2 O43353 2/20 0.48
ABL1 P00519 2/20 0.48
EGFR P00533 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
SRC P12931 2/20 0.48
PDGFRA P16234 2/20 0.48
PRKACA P17612 2/20 0.48
KDR P35968 2/20 0.48
FRK P42685 2/20 0.48
MAPK9 P45984 2/20 0.48
CSNK1A1 P48729 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
SCHEMBL8916363 0.94 KMT2A (0.54) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL3689655 0.88 KDM4E (0.49) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL3685595 0.87 KDM4E (0.54) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL8915718 0.84 ALDH1A1 (0.53) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL8918905 0.83 ALDH1A1 (0.57) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL13020368 0.82 SRC (0.54) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL13147565 0.79 SRC (0.59) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL8227273 0.79 SRC (0.51) ALDH1A1KDM4ELMNAHPGDHTT
SCHEMBL5961453 0.78 KMT2A (0.57) KMT2AALDH1A1KDM4ELMNAHPGD
SCHEMBL13019702 0.77 SRC (0.55) ALDH1A1KDM4ELMNAHPGDHTT

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-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

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 KMT2A 4380/4885ALDH1A1 2199/4885KDM4E 4683/4885
US-20100331297-A1 MODULATION OF PROTEIN TRAFFICKING RAB1A, COPB1, GOLT1B KMT2A 4432/4885ALDH1A1 3475/4885KDM4E 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.