SCHEMBL13097062

SCHEMBL13097062

CCCCCC(=O)N1CC(OCc2nc3ccc(F)cc3c(OCc3ccccc3)c2C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PLA2G2A P14555 2/20 0.36
GLRA1 P23415 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
P2RY12 Q9H244 1/20 0.36
PDE10A Q9Y233 2/20 0.35
PPARG P37231 3/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
RBP4 P02753 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL13097045 0.92 NPC1 (0.41) DHODHNPC1RAB9APLA2G2ATP53
SCHEMBL13106260 0.92 NPC1 (0.41) DHODHNPC1RAB9ATP53MAPT
SCHEMBL13106265 0.84 NPC1 (0.43) DHODHNPC1RAB9ATP53MAPT
SCHEMBL13096855 0.82 P2RY12 (0.43) NPC1RAB9ATP53P2RY12MEN1
SCHEMBL13097098 0.82 DHODH (0.39) DHODHNPC1PLA2G2ATP53MAPT
SCHEMBL13106261 0.77 NPC1 (0.40) NPC1RAB9ATP53MAPTP2RY12
SCHEMBL13097130 0.77 RORC (0.43) DHODHNPC1RAB9APLA2G2AMAPT
SCHEMBL13097126 0.76 RORC (0.42) DHODHMAPTTLR8TLR7HPGD
SCHEMBL13107250 0.75 P2RY12 (0.44) NPC1RAB9AMAPTP2RY12GAA
SCHEMBL13097132 0.74 P2RY12 (0.42) NPC1RAB9AP2RY12MEN1KMT2A

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-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US disclosed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 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-20100256113-A1 QUINOLONE DERIVATIVE NQO1, NQO2, NADK DHODH 294/4885NPC1 581/4885RAB9A 2422/4885

“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.