SCHEMBL13097098

SCHEMBL13097098

Cc1c(COC2CCN(C(=O)CCC3CC3)CC2)nc2ccc(F)cc2c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
YAP1 P46937 1/20 0.39
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
CPT1A P50416 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
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
PLA2G2A P14555 1/20 0.36
BCHE P06276 2/20 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
SCHEMBL13097045 0.90 NPC1 (0.41) DHODHMAPTHTTYAP1NPC1
SCHEMBL13106261 0.89 NPC1 (0.40) MAPTHTTKMT2ANPC1ALDH1A1
SCHEMBL13097130 0.87 RORC (0.43) DHODHMAPTHTTYAP1KMT2A
SCHEMBL13097126 0.83 RORC (0.42) DHODHMAPTHTTALDH1A1LMNA
SCHEMBL13097062 0.82 DHODH (0.40) DHODHMAPTKMT2AMEN1NPC1
SCHEMBL13106265 0.81 NPC1 (0.43) DHODHMAPTNPC1ALDH1A1CPT1A
SCHEMBL13096855 0.79 P2RY12 (0.43) KMT2AMEN1NPC1ALDH1A1GRIN2D
SCHEMBL13097142 0.77 FAAH (0.42) DHODHMAPTALDH1A1LMNACPT1A
SCHEMBL13097144 0.77 RORC (0.43) DHODHMAPTHTTYAP1ALDH1A1
SCHEMBL13107220 0.76 TLR9 (0.40) MAPTHTTNPC1TP53

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 294/4885MAPT 4661/4885HTT 4209/4885

“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.