SCHEMBL3556609

SCHEMBL3556609

CNC1([C@@H]2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn([C@@H]5C[C@H]5F)c4c3C#N)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
KCNH2 Q12809 6/20 0.46
ALDH1A1 P00352 6/20 0.45
POLB P06746 3/20 0.45
OPRM1 P35372 2/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
OPRD1 P41143 1/20 0.45
LMNA P02545 2/20 0.42
KDM4E B2RXH2 6/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TOP1 P11387 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 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
SCHEMBL3556611 1.00 CYP3A4 (0.47) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL3559878 0.92 KCNH2 (0.49) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL3559880 0.92 KCNH2 (0.49) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL4675227 0.90 KCNH2 (0.55) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL8541868 0.90 KCNH2 (0.55) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL13341780 0.89 KCNH2 (0.36) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL13341766 0.89 CYP3A4 (0.45) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL14014253 0.89 CYP3A4 (0.45) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL13341765 0.88 CYP3A4 (0.58) CYP3A4KCNH2ALDH1A1POLBOPRM1
SCHEMBL3549144 0.88 CYP3A4 (0.58) CYP3A4KCNH2ALDH1A1POLBOPRM1

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
EP-1669354-B1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-03-20 EP disclosed
US-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US disclosed
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 US disclosed
EP-1669354-A1 8-CYANOQUINOLONECARBOXYLIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-06-14 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-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative QPCT, ASNS, C3AR1 CYP3A4 1439/4885KCNH2 807/4885ALDH1A1 2947/4885

“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.