SCHEMBL13913074

SCHEMBL13913074

N#Cc1ccc(C=O)c(CBr)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 2/20 0.39
GSK3B P49841 2/20 0.37
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRB2 P47870 1/20 0.34
GABRA4 P48169 1/20 0.34
GABRE P78334 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRG1 Q8N1C3 1/20 0.34
GABRG3 Q99928 1/20 0.34
GABRQ Q9UN88 1/20 0.34

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
SCHEMBL29952696 0.84 CYP2A6 (0.44) RAD51CA1CA2GABRPGABRD
SCHEMBL1859259 0.84 CYP2A6 (0.44) RAD51CA1CA2GABRPGABRD
SCHEMBL24025456 0.78 SRC (0.35) RAD51GSK3BPIN1ABCC9ABCC8
SCHEMBL7398707 0.77 TSHR (0.40) RAD51CYP2A6
SCHEMBL3872780 0.77 GSK3B (0.39) GSK3BCA1CA2ABCC9ABCC8
SCHEMBL29879019 0.76 RAD51 (0.42) RAD51CA1CA2GABRPGABRD
SCHEMBL1232609 0.76 RAD51 (0.42) RAD51CA1CA2GABRPGABRD
SCHEMBL15654620 0.73 ERN1 (0.48) CYP2A6
SCHEMBL1232330 0.73 MEN1 (0.39) GSK3BCA1CA2CA12CA9
SCHEMBL27552968 0.73 GSK3B (0.37) GSK3BCA2ABCC9ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2009-03-26 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-20090082368-A1 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY NGF, BDNF, NTRK2 RAD51 3390/4885GSK3B 1764/4885CA1 847/4885

“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.