SCHEMBL3103344

SCHEMBL3103344

c1ccc(COc2cccc(N3CCCCC3)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.57
AGXT P21549 1/20 0.56
GRM5 P41594 1/20 0.55
ALOX5 P09917 1/20 0.53
GRIN1 Q05586 1/20 0.52
GRIN2B Q13224 1/20 0.52
PRMT6 Q96LA8 1/20 0.51
LTA4H P09960 1/20 0.50
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
BCHE P06276 1/20 0.50
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HRH3 Q9Y5N1 2/20 0.49

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
SCHEMBL8322225 0.98 MAOB (0.58) MAOBAGXTGRM5ALOX5GRIN1
SCHEMBL4671546 0.85 ADRB1 (0.59) MAOBGRM5ALOX5LTA4HHTT
SCHEMBL4178519 0.85 USP2 (0.63) MAOBAGXTGRM5ALOX5ALDH1A1
SCHEMBL1263059 0.85 AGXT (0.61) MAOBAGXTGRM5ALOX5ALDH1A1
SCHEMBL4671542 0.85 ALOX5 (0.54) MAOBGRM5ALOX5CYP4F2CYP4A11
SCHEMBL9047395 0.84 LTA4H (0.60) GRIN1GRIN2BLTA4HKDM4EALDH1A1
Hydrochloric Acid SCHEMBL1532961 0.84 ADRB1 (0.57) MAOBGRM5ALOX5LTA4H
SCHEMBL13097312 0.82 NPC1 (0.58) MAOBGRM5ALOX5CYP4F2CYP4A11
SCHEMBL16046663 0.82 LTA4H (0.62) MAOBGRIN1GRIN2BLTA4HKDM4E
SCHEMBL13097316 0.80 PRMT5 (0.52) MAOBGRM5ALOX5CYP4F2CYP4A11

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 MAOB 200/4885AGXT 340/4885GRM5 2967/4885

“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.