SCHEMBL13097045

SCHEMBL13097045

CCCCCC(=O)N1CCC(OCc2nc3ccc(F)cc3c(OCc3ccccc3)c2C)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
DHODH Q02127 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 1/20 0.39
P2RY12 Q9H244 1/20 0.38
TNKS O95271 2/20 0.37
PARP1 P09874 2/20 0.37
PARP2 Q9UGN5 2/20 0.37
BCHE P06276 3/20 0.37
HTT P42858 1/20 0.37
YAP1 P46937 1/20 0.37
CPT1A P50416 1/20 0.36
CASP3 P42574 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36

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
SCHEMBL13097062 0.92 DHODH (0.40) NPC1RAB9ADHODHMAPTTP53
SCHEMBL13106265 0.92 NPC1 (0.43) NPC1RAB9ADHODHMAPTTP53
SCHEMBL13096855 0.90 P2RY12 (0.43) NPC1RAB9ATP53P2RY12TNKS
SCHEMBL13097098 0.90 DHODH (0.39) NPC1DHODHMAPTTP53BCHE
SCHEMBL13106261 0.85 NPC1 (0.40) NPC1RAB9AMAPTTP53P2RY12
SCHEMBL13097130 0.85 RORC (0.43) NPC1RAB9ADHODHMAPTBCHE
SCHEMBL13106260 0.84 NPC1 (0.41) NPC1RAB9ADHODHMAPTTP53
SCHEMBL13107250 0.83 P2RY12 (0.44) NPC1RAB9AMAPTP2RY12TNKS
SCHEMBL13097126 0.83 RORC (0.42) DHODHMAPTHTTALDH1A1
SCHEMBL13107220 0.80 TLR9 (0.40) NPC1RAB9AMAPTTP53HTT

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 NPC1 581/4885RAB9A 2422/4885DHODH 294/4885

“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.