SCHEMBL5487704

SCHEMBL5487704

FC(F)(F)C1(c2cc(Br)cc(CBr)c2)N=N1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 2/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41

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
SCHEMBL14450473 0.81 GABRB3 (0.43) GABRB3GABRA1GABRG2
SCHEMBL14450521 0.76 GRB2 (0.41) GABRB3GABRA1GABRG2
SCHEMBL14450546 0.76 GABRA1 (0.43) GABRB3GABRA1GABRG2
SCHEMBL2525989 0.75 ADRA2A (0.42) GABRB3GABRA1GABRG2
SCHEMBL22587376 0.73 GABRB3 (0.50) GABRB3GABRA1GABRG2
SCHEMBL2535263 0.73 KIF11 (0.42) GABRB3GABRA1GABRG2
SCHEMBL5497635 0.71 POLB (0.40) GABRB3GABRA1GABRG2
SCHEMBL29738521 0.71 IDO1 (0.41)
SCHEMBL3591051 0.71 IDO1 (0.41)
SCHEMBL23860299 0.69 KIF11 (0.45) GABRB3GABRA1GABRG2

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-20070161542-A1 Ptb1b photoprobes RAMACHANDRAN CHIDAMBARAM 2007-07-12 US disclosed
US-20070161542-A1 Ptb1b photoprobes RAMACHANDRAN CHIDAMBARAM 2007-07-12 US disclosed
US-20070161542-A1 Ptb1b photoprobes RAMACHANDRAN CHIDAMBARAM 2007-07-12 US disclosed
WO-2005056582-A1 PTP1B PHOTOPROBES MERCK FROSST CANADA LTD. (CA) 2005-06-23 WO 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-20070161542-A1 Ptb1b photoprobes PTBP1, PTBP3, PPP1R1B GABRB3 1178/4885GABRA1 2397/4885GABRG2 2486/4885

“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.