SCHEMBL13097477

SCHEMBL13097477

Cc1c(CCCCCOC2CC2)[nH]c2ccccc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.47
HTT P42858 2/20 0.41
HPGD P15428 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
OXER1 Q8TDS5 1/20 0.37
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC2A1 P11166 1/20 0.36

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
SCHEMBL13097539 0.89 CYP2D6 (0.52) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL13097523 0.88 CYP2D6 (0.53) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL3103629 0.82 CYP2D6 (0.61) CYP2D6HTTCTSVCTSL
SCHEMBL13097469 0.82 CYP2D6 (0.52) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL13097468 0.81 CYP2D6 (0.48) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL13349796 0.81 CYP2D6 (0.43) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL3106330 0.81 CYP2D6 (0.50) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL12891618 0.80 CYP2D6 (0.68) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL17400300 0.80 CYP2D6 (0.68) CYP2D6HTTHPGDKDM4EALDH1A1
SCHEMBL27902363 0.80 CYP2D6 (0.68) CYP2D6HTTHPGDKDM4EALDH1A1

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 CYP2D6 230/4885HTT 4209/4885HPGD 43/4885

“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.