SCHEMBL6505459

SCHEMBL6505459

COc1ccc(C=NNc2nc3nonc3nc2Nc2ccc(F)cc2)cc1OC

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 8/20 0.57
KMT2A Q03164 5/20 0.57
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
MPO P05164 2/20 0.52
ATM Q13315 1/20 0.46
NPC1 O15118 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MAPT P10636 9/20 0.45
RAB9A P51151 5/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 2/20 0.44
HSP90AA1 P07900 1/20 0.44
TP53 P04637 1/20 0.44
GFER P55789 1/20 0.44
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42

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
SCHEMBL6505451 1.00 GAA (0.57) GAAKMT2AALDH1A1MEN1MPO
SCHEMBL6506779 0.91 MPO (0.49) GAAKMT2AALDH1A1MEN1MPO
SCHEMBL6506776 0.91 MPO (0.49) GAAKMT2AALDH1A1MEN1MPO
SCHEMBL6502169 0.81 MAPT (0.48) GAAKMT2AALDH1A1MEN1NPC1
SCHEMBL6420465 0.81 MAPT (0.48) GAAKMT2AALDH1A1MEN1NPC1
SCHEMBL6420018 0.81 MAPT (0.51) GAAKMT2AALDH1A1MEN1MPO
SCHEMBL6436406 0.81 AMY1A (0.53) GAAKMT2AALDH1A1MEN1MPO
SCHEMBL6436409 0.81 AMY1A (0.53) GAAKMT2AALDH1A1MEN1MPO
SCHEMBL6435805 0.81 MAPT (0.46) GAAKMT2AALDH1A1MEN1MPO
SCHEMBL8264954 0.80 MPO (0.60) GAAKMT2AALDH1A1MEN1MPO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds NR5A2, NR1H2, NR2C2 GAA 3186/4885KMT2A 3640/4885ALDH1A1 1119/4885

“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.