SCHEMBL13097630

SCHEMBL13097630

Cc1c(COC2CCN(C(=O)CCC3CC3)CC2)[nH]c2ccc(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MGLL Q99685 4/20 0.38
TACR1 P25103 1/20 0.37
TLR9 Q9NR96 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR7 Q9NYK1 2/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
MMP2 P08253 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35

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
SCHEMBL13097608 0.88 GSK3B (0.42) SMN1; SMN2TACR1KMT2AALDH1A1LMNA
SCHEMBL13097634 0.85 TLR9 (0.45) BRD3SMN1; SMN2MGLLTLR9TLR8
SCHEMBL13097633 0.81 MGLL (0.43) MGLLTLR9TLR8TLR7KMT2A
SCHEMBL13097620 0.79 GSK3B (0.44) SMN1; SMN2TACR1LMNAMMP2ADAMTS5
SCHEMBL13097839 0.76 HSD11B1 (0.41) BRD3KMT2AALDH1A1ADAMTS5
SCHEMBL13097541 0.75 HSD17B10 (0.49) SMN1; SMN2ALDH1A1LMNA
SCHEMBL13097644 0.73 CYP2D6 (0.48) KMT2A
SCHEMBL13097646 0.72 CYP2D6 (0.56) TLR9TLR8TLR7LMNA
SCHEMBL13097609 0.72 CYP2D6 (0.39) SMN1; SMN2ALDH1A1LMNA
SCHEMBL13097098 0.71 DHODH (0.39) TP53KMT2AALDH1A1LMNA

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 4 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-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
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 BRD3 1141/4885SMN1; SMN2 4848/4885TP53 3864/4885

“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.