SCHEMBL8459305

SCHEMBL8459305

CCc1ccccc1C(C)=NO

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
CLCN2 P51788 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
CTBP2 P56545 1/20 0.37
TSHR P16473 1/20 0.36
F2R P25116 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL29101876 1.00 GABRA1 (0.41) GABRA1GABRB2CLCN2CYP2D6CYP2C19
SCHEMBL29101886 0.84 ALDH1A1 (0.38) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL15999947 0.83 GABRA1 (0.41) GABRA1GABRB2CLCN2MEN1KMT2A
SCHEMBL19139647 0.83 GABRA1 (0.41) GABRA1GABRB2CLCN2MEN1KMT2A
SCHEMBL17133918 0.82 GABRA1 (0.42) GABRA1GABRB2CLCN2CYP2D6CYP2C19
SCHEMBL15761233 0.82 GABRA1 (0.42) GABRA1GABRB2CLCN2CYP2D6CYP2C19
SCHEMBL15946909 0.82 GABRA1 (0.40) GABRA1GABRB2CLCN2CYP2D6MEN1
SCHEMBL17192802 0.82 CYP2D6 (0.38) CYP2D6CYP2C19KDM4EMEN1KMT2A
SCHEMBL15946906 0.82 GABRA1 (0.40) GABRA1GABRB2CLCN2CYP2D6MEN1
SCHEMBL20342728 0.80 GABRA1 (0.39) GABRA1GABRB2CLCN2CTBP2F2R

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
US-20090076088-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-19 US disclosed
US-20090069383-A1 Thrombin Receptor Antagonists SCHERING CORPORATION 2009-03-12 US disclosed
US-7488742-B2 Thrombin receptor antagonists SCHERING CORPORATION (US) 2009-02-10 US disclosed
US-20040152736-A1 Thrombin receptor antagonists TOPROL ACQUISITION LLC 2004-08-05 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 (3 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-20090076088-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R GABRA1 136/4885GABRB2 263/4885CLCN2 3053/4885
US-20040152736-A1 Thrombin receptor antagonists CNR1, TBXA2R, CNR2 GABRA1 108/4885GABRB2 232/4885CLCN2 2424/4885
US-20090069383-A1 Thrombin Receptor Antagonists CNR1, CNR2, TBXA2R GABRA1 136/4885GABRB2 263/4885CLCN2 3053/4885

“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.