SCHEMBL13097487

SCHEMBL13097487

CCCCCCCN(Cc1[nH]c2ccccc2c(=O)c1C)C(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.56
TSHR P16473 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSPO P30536 1/20 0.46
CYP2C19 P33261 1/20 0.46
THPO P40225 1/20 0.46
MTOR P42345 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL3106290 0.78 MC4R (0.46) CYP2D6KDM4EALDH1A1SMN1; SMN2NPSR1
SCHEMBL27902363 0.78 CYP2D6 (0.68) CYP2D6TSHRKDM4EALDH1A1CYP1A2
SCHEMBL12891618 0.78 CYP2D6 (0.68) CYP2D6TSHRKDM4EALDH1A1CYP1A2
SCHEMBL27921144 0.78 CYP2D6 (0.68) CYP2D6TSHRKDM4EALDH1A1CYP1A2
SCHEMBL17400300 0.78 CYP2D6 (0.68) CYP2D6TSHRKDM4EALDH1A1CYP1A2
SCHEMBL13097489 0.78 KDM4E (0.51) CYP2D6KDM4EMEN1ALDH1A1CYP1A2
SCHEMBL8537338 0.76 CYP2D6 (0.66) CYP2D6TSHRKDM4EMEN1ALDH1A1
SCHEMBL3092059 0.74 CYP2D6 (0.57) CYP2D6TSHRKDM4EALDH1A1CYP1A2
SCHEMBL13097485 0.72 CYP2D6 (0.61) CYP2D6TSHRKDM4EMEN1ALDH1A1
SCHEMBL13097496 0.72 CYP2D6 (0.64) CYP2D6TSHRKDM4EALDH1A1HPGD

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 CYP2D6 230/4885TSHR 4536/4885KDM4E 1769/4885

“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.