SCHEMBL13097489

SCHEMBL13097489

COc1ccc(CCN(Cc2[nH]c3ccccc3c(=O)c2C)C(C)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP2D6 P10635 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
ABCG2 Q9UNQ0 1/20 0.47
HPGD P15428 1/20 0.46
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
CAPN1 P07384 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 2/20 0.45
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 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
SCHEMBL13349900 0.84 CYP2D6 (0.44) CYP2D6ABCG2PKMSMN1; SMN2KMT2A
SCHEMBL13097487 0.78 CYP2D6 (0.56) KDM4EALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL3106290 0.76 MC4R (0.46) KDM4EALDH1A1CYP2D6SMN1; SMN2CAPN1
SCHEMBL13097484 0.75 POLB (0.53) CYP2D6ABCG2KMT2ACAPN1MEN1
SCHEMBL13097492 0.75 POLB (0.48) CYP2D6ABCG2CAPN1POLB
SCHEMBL14544524 0.75 LPAR1 (0.67) KDM4EALDH1A1CYP2D6CYP1A2CYP3A4
SCHEMBL13097949 0.75 ABCG2 (0.58) ALDH1A1CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL3098303 0.71 CYP2D6 (0.52) CYP2D6ABCG2CAPN1
SCHEMBL8534472 0.69 KDM4E (0.50) KDM4EALDH1A1ABCG2HPGDSMN1; SMN2
SCHEMBL14574432 0.69 CYP2D6 (0.51) KDM4EALDH1A1CYP2D6HPGDSMN1; SMN2

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 4 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

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 KDM4E 1769/4885ALDH1A1 524/4885CYP2D6 230/4885

“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.