SCHEMBL3096663

SCHEMBL3096663

O=c1c(Cl)c(CN2CCCCC2)[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 3/20 0.52
CHRNA7 P36544 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALDH1A1 P00352 8/20 0.48
KDM4E B2RXH2 7/20 0.48
HTT P42858 4/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TLR9 Q9NR96 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 2/20 0.47
MPO P05164 1/20 0.46
JAK2 O60674 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 3/20 0.43
GAA P10253 2/20 0.43
DRD2 P14416 2/20 0.42

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
SCHEMBL10067337 0.77 CHRNA7 (0.56) KMT2AMEN1CHRNA7ALDH1A1KDM4E
SCHEMBL10067334 0.76 DRD2 (0.51) KMT2ACHRNA7ALDH1A1KDM4EHTT
SCHEMBL14125530 0.72 DRD2 (0.45) KMT2AMEN1ALDH1A1KDM4EHTT
SCHEMBL27783323 0.71 KDM4E (0.60) KMT2AMEN1CHRNA7L3MBTL1ALDH1A1
SCHEMBL7957123 0.71 HRH3 (0.53) KMT2AMEN1CHRNA7L3MBTL1ALDH1A1
SCHEMBL5168876 0.71 CHRNA7 (0.72) KMT2AMEN1CHRNA7ALDH1A1KDM4E
SCHEMBL7959186 0.70 HTR2A (0.74) KMT2AMEN1CHRNA7ALDH1A1KDM4E
SCHEMBL9685065 0.69 MEN1 (0.54) KMT2AMEN1CHRNA7L3MBTL1KDM4E
SCHEMBL5169046 0.69 CHRNA7 (0.69) KMT2AMEN1CHRNA7L3MBTL1ALDH1A1
SCHEMBL25505722 0.69 DRD4 (0.56) KMT2AMEN1L3MBTL1ALDH1A1KDM4E

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367702-B2 Quinolone derivative ASTELLAS PHARMA INC. (JP) 2013-02-05 US claimed
US-20100256113-A1 QUINOLONE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2010-10-07 US claimed
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP claimed
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
EP-2194044-A1 QUINOLONE DERIVATIVE Astellas Pharma Inc. (JP) 2010-06-09 EP 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 KMT2A 1299/4885MEN1 4763/4885CHRNA7 2588/4885

“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.