SCHEMBL13097024

SCHEMBL13097024

c1ccc(COc2cccc(OCCc3cccnc3)c2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.64
GRM2 Q14416 2/20 0.53
MAOB P27338 3/20 0.53
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
GPR132 Q9UNW8 6/20 0.49
FFAR1 O14842 1/20 0.49
CMKLR2 P46091 1/20 0.48
CMKLR1 Q99788 1/20 0.48
HTR1A P08908 1/20 0.48
DRD2 P14416 1/20 0.48

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
SCHEMBL5753264 0.86 LTA4H (0.57) MAPK1SMN1; SMN2HTR1ADRD2
SCHEMBL13097042 0.85 LTA4H (0.61) MAPK1MAOBCYP4F2CYP4A11SMN1; SMN2
SCHEMBL28011530 0.85 MAPK1 (0.64) MAPK1GRM2MAOBLMNAGPR132
SCHEMBL13097025 0.84 DRD2 (0.49) MAPK1CYP4F2CYP4A11GPR132HTR1A
SCHEMBL13106257 0.83 TDP1 (0.58) MAPK1GRM2ALDH1A1LMNASMN1; SMN2
SCHEMBL13097026 0.82 MAPT (0.48) MAPK1GRM2MAOBALDH1A1LMNA
SCHEMBL12015516 0.81 F2 (0.51) MAPK1ALDH1A1LMNASMN1; SMN2DRD2
SCHEMBL28048769 0.80 CYP11B1 (0.57)
SCHEMBL1323646 0.80 RAB9A (0.62) MAPK1GRM2ALDH1A1HTR1ADRD2
SCHEMBL30150593 0.80 RAB9A (0.62) MAPK1GRM2ALDH1A1HTR1ADRD2

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 MAPK1 1589/4885GRM2 3040/4885MAOB 200/4885

“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.