SCHEMBL3551443

SCHEMBL3551443

N#Cc1c(N2CCC(C3(N)CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
POLB P06746 2/20 0.57
OPRM1 P35372 2/20 0.57
CHRM2 P08172 1/20 0.57
CHRM1 P11229 1/20 0.57
OPRD1 P41143 1/20 0.57
KCNH2 Q12809 8/20 0.56
SCN5A Q14524 1/20 0.52
KDM4E B2RXH2 3/20 0.49
HPGD P15428 3/20 0.49
HSD17B10 Q99714 2/20 0.49
PRKD3 O94806 1/20 0.49
ALOX15 P16050 1/20 0.49
CLK2 P49760 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CYP3A4 P08684 1/20 0.47
LMNA P02545 2/20 0.45
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44

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
SCHEMBL3551445 1.00 ALDH1A1 (0.57) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL13341765 0.91 CYP3A4 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL3549144 0.91 CYP3A4 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL3549148 0.91 CYP3A4 (0.58) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL7518993 0.90 KCNH2 (0.51) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL6168061 0.89 KCNH2 (0.63) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL13341778 0.87 KCNH2 (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL14781060 0.85 KDM4E (0.47) ALDH1A1POLBOPRM1CHRM2CHRM1
Hydrochloric Acid SCHEMBL6505726 0.84 KCNH2 (0.72) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL9477423 0.84 ALDH1A1 (0.56) ALDH1A1POLBOPRM1CHRM2CHRM1

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 ALDH1A1 2947/4885POLB 1682/4885OPRM1 3549/4885

“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.