SCHEMBL3058724

SCHEMBL3058724

O=C(C=Cc1cccc(Cl)c1Cl)c1cccc(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.62
▸ DPP4 P27487 1/20 0.60
▸ NR1H4 Q96RI1 1/20 0.59
▸ PTGS2 P35354 1/20 0.59
▸ MEN1 O00255 2/20 0.56
▸ MAPT P10636 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ P4HB P07237 5/20 0.54
▸ ABCG2 Q9UNQ0 3/20 0.51
▸ USP2 O75604 1/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ MAOB P27338 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TYR P14679 1/20 0.49

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
SCHEMBL3058720 1.00 CHRNA7 (0.62) CHRNA7DPP4NR1H4PTGS2MEN1
SCHEMBL11937143 0.86 NR1H4 (0.60) CHRNA7DPP4NR1H4PTGS2MEN1
SCHEMBL9779303 0.84 PTGS2 (0.69) PTGS2MEN1MAPTKMT2AHSP90AA1
SCHEMBL9779305 0.84 PTGS2 (0.69) PTGS2MEN1MAPTKMT2AHSP90AA1
SCHEMBL14290443 0.82 CHRNA7 (0.67) CHRNA7DPP4NR1H4MEN1MAPT
SCHEMBL3043470 0.82 CHRNA7 (0.55) CHRNA7DPP4NR1H4MAPTKMT2A
SCHEMBL3043471 0.82 CHRNA7 (0.55) CHRNA7DPP4NR1H4MAPTKMT2A
SCHEMBL386684 0.81 DPP4 (0.61) DPP4PTGS2MEN1MAPTKMT2A
SCHEMBL386683 0.81 DPP4 (0.61) DPP4PTGS2MEN1MAPTKMT2A
SCHEMBL11937142 0.80 CHRNA7 (0.63) CHRNA7DPP4NR1H4MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8618327-B2 Antibacterial agents and methods of use thereof WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2013-12-31 — — US disclosed
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
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 — — WO 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 CHRNA7 4877/4885DPP4 155/4885NR1H4 2046/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 CHRNA7 4874/4885DPP4 193/4885NR1H4 2815/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 CHRNA7 4877/4885DPP4 150/4885NR1H4 2047/4885

“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.

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