SCHEMBL11937149

SCHEMBL11937149

Cc1ccc(/C=C/C(=O)c2cccc(O)c2)cc1Br

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HB P07237 6/20 0.70
NR1H4 Q96RI1 1/20 0.62
ABCG2 Q9UNQ0 1/20 0.55
USP2 O75604 1/20 0.54
BCHE P06276 2/20 0.54
CHRNA7 P36544 2/20 0.52
CTSL P07711 1/20 0.52
CYP1A1 P04798 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP1B1 Q16678 1/20 0.51

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
SCHEMBL16806323 0.89 NR1H4 (0.65) P4HBNR1H4ABCG2USP2BCHE
SCHEMBL11937148 0.85 NR1H4 (0.61) P4HBNR1H4ABCG2USP2BCHE
SCHEMBL11941382 0.84 NR1H4 (0.79) P4HBNR1H4ABCG2CTSLCYP1A2
SCHEMBL11937147 0.82 P4HB (0.73) P4HBNR1H4ABCG2USP2BCHE
SCHEMBL9342715 0.82 P4HB (0.73) P4HBNR1H4ABCG2USP2BCHE
SCHEMBL14290489 0.82 P4HB (1.00) P4HBNR1H4ABCG2USP2CHRNA7
SCHEMBL32681390 0.82 P4HB (1.00) P4HBNR1H4ABCG2USP2CHRNA7
SCHEMBL13297188 0.82 NR1H4 (0.61) P4HBNR1H4ABCG2USP2BCHE
SCHEMBL2992884 0.82 P4HB (0.82) P4HBNR1H4ABCG2USP2BCHE
SCHEMBL2992887 0.82 P4HB (0.82) P4HBNR1H4ABCG2USP2BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 US disclosed
US-8227616-B2 Cyanopyridine antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-07-24 US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 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-20120277252-A1 Antibacterial Agents and Methods of Use Thereof FDPS, ABCG2, DUT P4HB 2360/4885NR1H4 2046/4885ABCG2 2/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 P4HB 3790/4885NR1H4 2815/4885ABCG2 2/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 P4HB 2537/4885NR1H4 2047/4885ABCG2 3/4885

“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.