SCHEMBL5573576

SCHEMBL5573576

O=C1c2ccccc2C(=O)N1CCCc1ccc(Br)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CYP1B1 Q16678 2/20 0.58
ADRA1D P25100 1/20 0.53
ADRA1A P35348 1/20 0.53
ADRA1B P35368 1/20 0.53
CASP3 P42574 1/20 0.53
ALDH1A1 P00352 1/20 0.53
ALDH2 P05091 1/20 0.53
PKM P14618 1/20 0.53
ALDH3A1 P30838 1/20 0.53
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA4 P22748 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
GSK3B P49841 1/20 0.50
CHRM5 P08912 1/20 0.49
CHRM1 P11229 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
SCHEMBL3792244 0.94 TDP1 (0.77) TDP1L3MBTL1CYP1B1GSK3B
SCHEMBL2187848 0.90 CASP3 (0.65) TDP1L3MBTL1CYP1B1ADRA1DADRA1A
SCHEMBL34464362 0.90 CASP3 (0.65) TDP1L3MBTL1CYP1B1ADRA1DADRA1A
SCHEMBL45050 0.86 TDP1 (0.86) TDP1L3MBTL1CYP1B1CASP3ALDH1A1
SCHEMBL30371663 0.86 TDP1 (0.86) TDP1L3MBTL1CYP1B1CASP3ALDH1A1
SCHEMBL30981959 0.85 TDP1 (0.59) TDP1L3MBTL1CYP1B1CASP3ALDH1A1
SCHEMBL18260915 0.83 TDP1 (0.66) TDP1L3MBTL1CYP1B1CASP3ALDH1A1
SCHEMBL14092273 0.83 TDP1 (0.66) TDP1L3MBTL1CYP1B1CASP3ALDH1A1
SCHEMBL6283135 0.83 TDP1 (0.66) TDP1L3MBTL1CASP3ALDH1A1ALDH2
SCHEMBL10923228 0.83 TDP1 (0.66) TDP1L3MBTL1CYP1B1CASP3ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 EP disclosed
EP-2970176-B1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO CORTEVA AGRISCIENCE LLC (US) 2023-10-25 EP disclosed
CN-107573295-B Molecules and intermediates having pesticidal utility, compositions and methods relating thereto 美国陶氏益农公司 2020-12-15 CN disclosed
CN-106535634-B Molecules having certain pesticidal utility, intermediates, compositions, and methods related thereto 美国陶氏益农公司 2020-06-23 CN disclosed
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2018-02-15 US disclosed
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC 2018-02-15 US disclosed
US-9834547-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-12-05 US disclosed
US-9834547-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-12-05 US disclosed
US-9783532-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US disclosed
US-9783532-B2 Molecules having certain pesticidal utilities, and intermediates, compositions, and processes related thereto DOW AGROSCIENCES LLC (US) 2017-10-10 US disclosed
WO-2014160031-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
WO-2014160031-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-10-02 WO disclosed
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-09-18 US disclosed
US-20070149516-A1 Certain chemical entities, compositions, and methods CYTOKINETICS, INCORPORATED 2007-06-28 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 (5 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-20140275524-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TDP1 649/4885L3MBTL1 2720/4885CYP1B1 234/4885
US-20140275047-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TDP1 649/4885L3MBTL1 2720/4885CYP1B1 234/4885
US-20140274688-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TDP1 649/4885L3MBTL1 2720/4885CYP1B1 234/4885
US-20180044332-A1 MOLECULES HAVING CERTAIN PESTICIDAL UTILITIES, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES RELATED THERETO ACHE, DDT, MLYCD TDP1 649/4885L3MBTL1 2720/4885CYP1B1 234/4885
US-20070149516-A1 Certain chemical entities, compositions, and methods KIF5B, KIF2C, PLK1 TDP1 217/4885L3MBTL1 2781/4885CYP1B1 4226/4885

“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.