SCHEMBL3101136

SCHEMBL3101136

CCOC(=O)c1nc2ccc(Br)cc2c(OCc2ccccc2)c1C

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
ELANE P08246 1/20 0.48
MEN1 O00255 1/20 0.48
HSP90AA1 P07900 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 2/20 0.44
ATM Q13315 2/20 0.44
NMT1 P30419 4/20 0.44
NMT2 O60551 1/20 0.44
CYP19A1 P11511 2/20 0.43
TP53 P04637 1/20 0.43
PTGER1 P34995 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGFR P43088 1/20 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
SCHEMBL13096564 0.87 MEN1 (0.48) ALDH1A1MEN1HSP90AA1KMT2ANMT1
SCHEMBL13107065 0.84 ATM (0.57) ALDH1A1SMN1; SMN2ELANEMAPTATM
SCHEMBL18488353 0.81 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2ELANEMEN1KMT2A
SCHEMBL3092046 0.78 MAPT (0.42) SMN1; SMN2MAPTTP53PTGER1PTGFR
SCHEMBL3092065 0.78 MAPT (0.40) SMN1; SMN2MEN1KMT2AMAPTTP53
SCHEMBL13096638 0.76 HTT (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL3091054 0.75 KMT2A (0.53) SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL3109659 0.75 MAPT (0.49) ALDH1A1SMN1; SMN2MEN1HSP90AA1KMT2A
SCHEMBL30745009 0.75 MAPT (0.47) ALDH1A1SMN1; SMN2MEN1HSP90AA1KMT2A
SCHEMBL7453470 0.75 KMT2A (0.53) ALDH1A1SMN1; SMN2MEN1KMT2AMAPT

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 5 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
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 ALDH1A1 524/4885SMN1; SMN2 4848/4885ELANE 2714/4885

“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.