SCHEMBL333574

SCHEMBL333574

COc1cc(C=CC#N)c(OS(=O)(=O)N(C)C)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 1/20 0.39
CYP3A4 P08684 1/20 0.39
FDPS P14324 1/20 0.39
NFE2L2 Q16236 1/20 0.39
TDP1 Q9NUW8 3/20 0.37
TSHR P16473 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
ABCG2 Q9UNQ0 1/20 0.35
CYP1A1 P04798 3/20 0.35
CYP1B1 Q16678 3/20 0.35
CYP1A2 P05177 2/20 0.35
PRKDC P78527 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
MEN1 O00255 5/20 0.33
KMT2A Q03164 5/20 0.33
NOD2 Q9HC29 2/20 0.33
CA12 O43570 1/20 0.32

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
SCHEMBL333573 1.00 HMGCR (0.39) HMGCRCYP3A4FDPSNFE2L2TDP1
SCHEMBL3458625 0.83 HMGCR (0.41) HMGCRCYP3A4FDPSNFE2L2TDP1
SCHEMBL3458624 0.83 HMGCR (0.41) HMGCRCYP3A4FDPSNFE2L2TDP1
SCHEMBL4293047 0.80 HMGCR (0.59) HMGCRCYP3A4FDPSNFE2L2TDP1
SCHEMBL333134 0.79 ALDH1A1 (0.61) HMGCRCYP3A4NFE2L2TDP1TSHR
SCHEMBL15268735 0.71 FDPS (0.47) HMGCRCYP3A4FDPSNFE2L2TDP1
SCHEMBL15268738 0.71 FDPS (0.47) HMGCRCYP3A4FDPSNFE2L2TDP1
SCHEMBL333213 0.69 PDE4A (0.39) CYP3A4TSHRL3MBTL1
SCHEMBL7490543 0.69 PRKDC (0.55) HMGCRCYP3A4FDPSNFE2L2TDP1
SCHEMBL7490539 0.69 PRKDC (0.55) HMGCRCYP3A4FDPSNFE2L2TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097720-B2 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid Les Laboratories Server (FR) 2012-01-17 US disclosed
US-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid LES LABORATOIRES SERVIER (FR) 2010-06-24 US 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-20100160628-A1 Process for the synthesis of ivabradine and addition salts thereof with a pharmaceutically acceptable acid CYP4F2, CYP2F1, CYP2D6 HMGCR 330/4885CYP3A4 15/4885FDPS 229/4885

“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.