SCHEMBL1505512

SCHEMBL1505512

COC(=O)c1cc(Br)c[n+]([O-])c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.46
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
CA7 P43166 3/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.40
XDH P47989 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
NFKB1 P19838 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40

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
SCHEMBL4330192 0.87 ABL1 (0.49) ABL1RIN1CA12CA1CA2
SCHEMBL15528472 0.83 CA1 (0.47) CA12CA1CA2CA9CA14
SCHEMBL6066541 0.80 CA1 (0.57) ABL1RIN1CA12CA1CA2
SCHEMBL21383989 0.79 ABL1 (0.43) ABL1RIN1CA12CA1CA2
SCHEMBL26306813 0.76 ABL1 (0.42) ABL1RIN1CA12CA1CA2
SCHEMBL1505672 0.75 KDM4E (0.50) CA1CA2CA9MAPTKDM4E
SCHEMBL4741678 0.75 ATM (0.44) ALDH1A1
Methyl 3,5-Dibromobenzoate SCHEMBL2408987 0.74 NOTUM (0.67) NOTUMCA12CA1CA2CA9
SCHEMBL184614 0.74 NOTUM (0.67) NOTUMCA12CA1CA2CA9
SCHEMBL27092721 0.72 HPGD (0.47) MAPTTDP1LMNAL3MBTL1ALDH1A1

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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220048876-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-02-17 US disclosed
US-11213032-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2022-01-04 US disclosed
EP-3856715-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-08-04 EP disclosed
US-10869477-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2020-12-22 US disclosed
WO-2020064564-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-04-02 WO disclosed
US-20200037613-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-02-06 US disclosed
EP-3601275-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-02-05 EP disclosed
EP-3601280-A1 INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2020-02-05 EP disclosed
US-20200031817-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2020-01-30 US disclosed
WO-2019243263-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-12-26 WO disclosed
WO-2011101229-A1 DIHYDROFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2011-08-25 WO disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 EP disclosed
US-7709503-B2 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2010-05-04 US disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 WO disclosed
EP-1664025-B1 PYRROL DERIVATIVES WITH ANTIBACTERIAL ACTIVITY ASTRAZENECA AB (SE) 2007-09-19 EP disclosed
CN-1882568-A Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-12-20 CN disclosed
US-20060223801-A1 Pyrrol derivatives with antibacterial activity ASTRAZENECA AB (SE) 2006-10-05 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 (6 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-20060223801-A1 Pyrrol derivatives with antibacterial activity PEF1, PEPD, PELP1 NOTUM 1133/4885ABL1 1988/4885RIN1 1325/4885
US-10869477-B2 Insecticidal compounds CBR3, C1R, C1S NOTUM 1481/4885ABL1 759/4885RIN1 1621/4885
US-11213032-B2 Insecticidal compounds DDT, ACHE, CYP2E1 NOTUM 684/4885ABL1 571/4885RIN1 1197/4885
US-20200037613-A1 INSECTICIDAL COMPOUNDS DDT, ACHE, CYP2E1 NOTUM 692/4885ABL1 617/4885RIN1 1121/4885
US-20200031817-A1 INSECTICIDAL COMPOUNDS ACHE, CHRM1, CHRM2 NOTUM 2016/4885ABL1 2101/4885RIN1 487/4885
US-20220048876-A1 INSECTICIDAL COMPOUNDS DDT, ACHE, CYP2E1 NOTUM 558/4885ABL1 750/4885RIN1 1176/4885

“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.