SCHEMBL5497635

SCHEMBL5497635

O=C(O)c1cc(Br)cc(C2(C(F)(F)F)N=N2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.40
HCAR2 Q8TDS4 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
P2RY14 Q15391 1/20 0.36
NOTUM Q6P988 1/20 0.36
KIF11 P52732 1/20 0.36
TTR P02766 1/20 0.35
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HIF1A Q16665 1/20 0.32
MCL1 Q07820 1/20 0.32
PPARA Q07869 1/20 0.32
PDK2 Q15119 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL5493908 0.81 GABRA1 (0.38) GABRA1GABRG2GABRB3KIF11RXRA
SCHEMBL17709956 0.77 KDM4C (0.37) POLBHCAR2P2RY14NOTUMTTR
SCHEMBL7797061 0.75 AKR1C3 (0.44) GABRA1GABRG2GABRB3KIF11PDK2
SCHEMBL30192521 0.75 AKR1C3 (0.44) GABRA1GABRG2GABRB3KIF11PDK2
SCHEMBL22926164 0.75 POLB (0.39) POLBHCAR2TTRRXRAPPARA
SCHEMBL29639646 0.75 POLB (0.39) POLBHCAR2TTRRXRAPPARA
SCHEMBL2380170 0.74 KIF11 (0.51) KIF11RXRARXRBRXRGALOX15
SCHEMBL29171786 0.73 POLB (0.33) POLBHCAR2P2RY14PPARA
SCHEMBL14450546 0.72 GABRA1 (0.43) GABRA1GABRG2GABRB3KIF11PPARA
SCHEMBL14450521 0.72 GRB2 (0.41) GABRA1GABRG2GABRB3TTRALOX15

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 POLB 778/4885HCAR2 4718/4885GABRA1 2397/4885

“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.