SCHEMBL13097553

SCHEMBL13097553

CCNC(=O)Nc1cccc(OCc2[nH]c3ccccc3c(=O)c2C)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.62
KMT2A Q03164 3/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PTK6 Q13882 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPK10 P53779 1/20 0.40
CDK8 P49336 1/20 0.40
MAPT P10636 1/20 0.40
MTNR1B P49286 1/20 0.40
MAOA P21397 1/20 0.39
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL13097933 0.82 CYP2D6 (0.57) CYP2D6KMT2AHSD17B10KDM4EMEN1
SCHEMBL13097591 0.78 CYP2D6 (0.70) CYP2D6KMT2AHSD17B10KDM4EMEN1
SCHEMBL13097942 0.77 CYP2D6 (0.50) CYP2D6KMT2AHSD17B10KDM4EMEN1
SCHEMBL13097528 0.77 CYP2D6 (1.00) CYP2D6KDM4ETSHRCTSVCTSL
SCHEMBL13097912 0.77 CYP2D6 (0.68) CYP2D6MAPK10
SCHEMBL13097572 0.77 CYP2D6 (0.75) CYP2D6PTK6MAOACTSVCTSL
SCHEMBL13097981 0.75 CYP2D6 (0.66) CYP2D6HSD17B10MAPTCTSVCTSL
SCHEMBL3096296 0.73 CYP2D6 (0.79) CYP2D6CTSVCTSL
SCHEMBL13097656 0.73 CYP2D6 (0.79) CYP2D6CTSVCTSL
SCHEMBL13097690 0.72 CYP2D6 (0.59) CYP2D6KMT2AHSD17B10KDM4EMEN1

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 230/4885KMT2A 1299/4885HSD17B10 164/4885

“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.