SCHEMBL6501740

SCHEMBL6501740

O=[N+]([O-])c1cccc(C=NNc2nc3nonc3nc2Nc2ccc(F)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 4/20 0.50
RAB9A P51151 3/20 0.50
PKM P14618 1/20 0.50
POLB P06746 1/20 0.49
KMT2A Q03164 8/20 0.48
MAPT P10636 8/20 0.47
CASP3 P42574 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
TP53 P04637 1/20 0.47
ALDH1A1 P00352 4/20 0.47
GAA P10253 1/20 0.47
MEN1 O00255 5/20 0.46
NPSR1 Q6W5P4 4/20 0.46
MAPK1 P28482 1/20 0.46
LMNA P02545 2/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43

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
SCHEMBL6501729 1.00 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL6507700 0.84 MAPT (0.52) SMN1; SMN2RAB9APOLBKMT2AMAPT
SCHEMBL6507696 0.84 MAPT (0.52) SMN1; SMN2RAB9APOLBKMT2AMAPT
SCHEMBL6421059 0.84 MAPT (0.47) SMN1; SMN2RAB9APOLBKMT2AMAPT
SCHEMBL6421053 0.84 MAPT (0.47) SMN1; SMN2RAB9APOLBKMT2AMAPT
SCHEMBL6420018 0.83 MAPT (0.51) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL6413535 0.79 DDX3X (0.53) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL6438017 0.79 DDX3X (0.53) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL6415667 0.78 KMT2A (0.53) SMN1; SMN2NPC1RAB9APKMPOLB
SCHEMBL6415669 0.78 KMT2A (0.53) SMN1; SMN2NPC1RAB9APKMPOLB

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 SMN1; SMN2 4369/4885NPC1 2027/4885RAB9A 1136/4885

“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.