SCHEMBL6417241

SCHEMBL6417241

NN=C(c1ccc(O)cc1O)c1nc2nonc2nc1Nc1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 3/20 0.43
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
RAB9A P51151 2/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
GAA P10253 2/20 0.33
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
XDH P47989 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
ALOX5 P09917 2/20 0.30
AURKA O14965 2/20 0.30

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
SCHEMBL6417228 1.00 SMN1; SMN2 (0.43) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6414923 0.89 CYP3A4 (0.38) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6414910 0.89 CYP3A4 (0.38) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6438171 0.89 TLR4 (0.41) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6421060 0.87 MAPT (0.44) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6421067 0.87 MAPT (0.44) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6414240 0.87 MAPT (0.37) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6414239 0.87 MAPT (0.37) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6416484 0.86 MAPT (0.36) SMN1; SMN2MAPTTP53MEN1KMT2A
SCHEMBL6416496 0.86 MAPT (0.36) SMN1; SMN2MAPTTP53MEN1KMT2A

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-20050143382-A1 Heterocyclic compounds as pharmaceutically active compounds 4SC AG (DE) 2005-06-30 US disclosed
EP-1529531-A1 Oxadiazolopyrazine derivatives as pharmaceutically active compounds 4SC AG (DE) 2005-05-11 EP 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 SMN1; SMN2 4369/4885MAPT 4420/4885TP53 4485/4885

“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.