SCHEMBL3559880

SCHEMBL3559880

CCNC1([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 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
CYP3A4 P08684 1/20 0.46
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
OPRM1 P35372 2/20 0.44
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
OPRD1 P41143 1/20 0.44
LMNA P02545 2/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 3/20 0.41
PMP22 Q01453 1/20 0.40
PRKD3 O94806 1/20 0.40
ALOX15 P16050 1/20 0.40
CLK2 P49760 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TOP1 P11387 3/20 0.39
TUBB4A P04350 1/20 0.38

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
SCHEMBL3559878 1.00 KCNH2 (0.49) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL3556609 0.92 CYP3A4 (0.47) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL3556611 0.92 CYP3A4 (0.47) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL13341781 0.89 KCNH2 (0.39) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL14014253 0.87 CYP3A4 (0.45) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL13341766 0.87 CYP3A4 (0.45) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL13368243 0.87 KCNH2 (0.36) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL3549148 0.87 CYP3A4 (0.58) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL3549144 0.87 CYP3A4 (0.58) KCNH2CYP3A4ALDH1A1POLBOPRM1
SCHEMBL13341765 0.87 CYP3A4 (0.58) KCNH2CYP3A4ALDH1A1POLBOPRM1

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 9 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
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-7723524-B2 8-cyanoquinolonecarboxylic acid derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-05-25 US 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
US-20080255190-A1 8-Cyanoquinolonecarboxylic Acid Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-10-16 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 KCNH2 807/4885CYP3A4 1439/4885ALDH1A1 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.