SCHEMBL3043471

SCHEMBL3043471

O=C(C=Cc1c(Cl)ccc(Cl)c1Cl)c1cccc(O)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 2/20 0.55
▸ P4HB P07237 6/20 0.54
▸ DPP4 P27487 1/20 0.53
▸ MDM4 O15151 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ MDM2 Q00987 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ USP2 O75604 1/20 0.50
▸ NR1H4 Q96RI1 2/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.48
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ ATM Q13315 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ BCHE P06276 1/20 0.44
▸ CYP1A1 P04798 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP1B1 Q16678 1/20 0.44

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
SCHEMBL3043470 1.00 CHRNA7 (0.55) CHRNA7P4HBDPP4MDM4MAPT
SCHEMBL13558898 0.89 DPP4 (0.52) CHRNA7P4HBDPP4MDM4MAPT
SCHEMBL3058720 0.82 CHRNA7 (0.62) CHRNA7P4HBDPP4MAPTKMT2A
SCHEMBL3058724 0.82 CHRNA7 (0.62) CHRNA7P4HBDPP4MAPTKMT2A
SCHEMBL14290428 0.79 P4HB (0.65) CHRNA7P4HBUSP2NR1H4ABCG2
SCHEMBL32681388 0.79 P4HB (0.65) CHRNA7P4HBUSP2NR1H4ABCG2
SCHEMBL14290443 0.77 CHRNA7 (0.67) CHRNA7P4HBDPP4MAPTKMT2A
SCHEMBL13297188 0.76 NR1H4 (0.61) CHRNA7P4HBDPP4USP2NR1H4
SCHEMBL8236045 0.76 P4HB (0.73) CHRNA7P4HBMAPTUSP2NR1H4
SCHEMBL8236049 0.76 P4HB (0.73) CHRNA7P4HBMAPTUSP2NR1H4

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 4877/4885P4HB 2360/4885DPP4 155/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 CHRNA7 4874/4885P4HB 3790/4885DPP4 193/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 CHRNA7 4877/4885P4HB 2537/4885DPP4 150/4885

“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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