SCHEMBL6421053

SCHEMBL6421053

O=[N+]([O-])c1cc(/C=N/Nc2nc3nonc3nc2Nc2ccc(F)cc2)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
HTT P42858 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 4/20 0.46
POLB P06746 2/20 0.46
TDP2 O95551 1/20 0.46
GAA P10253 1/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NPSR1 Q6W5P4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
DUSP3 P51452 1/20 0.42
PTPN5 P54829 1/20 0.42
PTPN11 Q06124 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL6421059 1.00 MAPT (0.47) MAPTHTTLMNAALDH1A1POLB
SCHEMBL6419595 0.86 MAPT (0.46) MAPTHTTLMNAALDH1A1POLB
SCHEMBL6419602 0.86 MAPT (0.46) MAPTHTTLMNAALDH1A1POLB
SCHEMBL6506319 0.85 MET (0.52) MAPTLMNAALDH1A1POLBGAA
SCHEMBL6503291 0.85 MET (0.52) MAPTLMNAALDH1A1POLBGAA
SCHEMBL6501729 0.84 SMN1; SMN2 (0.50) MAPTHTTLMNAALDH1A1POLB
SCHEMBL6501740 0.84 SMN1; SMN2 (0.50) MAPTHTTLMNAALDH1A1POLB
SCHEMBL6434942 0.79 ALDH1A1 (0.44) MAPTHTTLMNAALDH1A1POLB
SCHEMBL6434947 0.79 ALDH1A1 (0.44) MAPTHTTLMNAALDH1A1POLB
SCHEMBL6438017 0.79 DDX3X (0.53) MAPTHTTLMNAALDH1A1POLB

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 MAPT 4420/4885HTT 3588/4885LMNA 4510/4885

“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.