SCHEMBL12848411

SCHEMBL12848411

CNC(=O)COCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
CYP3A4 P08684 2/20 0.47
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
HCAR2 Q8TDS4 1/20 0.47
NR4A2 P43354 1/20 0.46
POLB P06746 1/20 0.46
GRM5 P41594 1/20 0.45
TAAR1 Q96RJ0 1/20 0.45
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL12411825 0.85 MAOA (0.47) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL12376668 0.84 MAPT (0.49) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL12848458 0.84 SMN1; SMN2 (0.52) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL16542338 0.83 MAOB (0.56) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL7649330 0.81 CETP (0.55) GRM5ALDH1A1
SCHEMBL2284663 0.81 RXRA (0.55) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL30900622 0.81 RXRA (0.55) MAOAMAOBCYP3A4IDO1AGXT
SCHEMBL12561399 0.81 POLB (0.62) MAOAMAOBPOLBGRM5ALDH1A1
SCHEMBL8003960 0.80 CSNK1D (0.50) GRM5ALDH1A1
SCHEMBL6386462 0.79 MEN1 (0.59) TAAR1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 MAOA 1584/4885MAOB 1153/4885CYP3A4 319/4885

“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.