SCHEMBL13097032

SCHEMBL13097032

c1ccc(COc2cccc(OCCc3ccccn3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MEN1 O00255 1/20 0.61
KMT2A Q03164 1/20 0.61
MAOB P27338 4/20 0.54
CYP4F2 P78329 1/20 0.51
CYP4A11 Q02928 1/20 0.51
CYP3A4 P08684 1/20 0.48
BCHE P06276 2/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
ALOX12 P18054 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FFAR1 O14842 1/20 0.47
MAOA P21397 1/20 0.47
NR4A2 P43354 1/20 0.47
TLR4 O00206 1/20 0.45
TLR2 O60603 1/20 0.45

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
SCHEMBL13462741 0.82 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4ETSHR
SCHEMBL10697786 0.82 HRH1 (0.53) ALDH1A1CYP3A4LMNAHPGDSMN1; SMN2
SCHEMBL6090065 0.82 CHRNB2 (0.50) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL13097036 0.82 KMT2A (0.44) ALDH1A1MEN1KMT2AMAOBCYP4F2
SCHEMBL13106255 0.81 GPBAR1 (0.52) CYP3A4KDM4ELMNAHPGDTSHR
SCHEMBL13097042 0.81 LTA4H (0.61) MEN1KMT2AMAOBCYP4F2CYP4A11
SCHEMBL13645879 0.79 TDP1 (0.60) ALDH1A1KMT2ACYP3A4KDM4ELMNA
SCHEMBL1268719 0.79 MAOB (0.81) MEN1KMT2AMAOBCYP4F2CYP4A11
SCHEMBL13097024 0.78 MAPK1 (0.64) ALDH1A1MAOBCYP4F2CYP4A11LMNA
SCHEMBL19951053 0.78 ABCB1 (0.50) ALDH1A1MEN1KMT2ACYP3A4LMNA

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 ALDH1A1 524/4885MEN1 4763/4885KMT2A 1299/4885

“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.