SCHEMBL17992202

SCHEMBL17992202

CCS(=O)(=O)c1cccnc1-c1ccc(O)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
COMT P21964 1/20 0.47
GAA P10253 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
APOBEC3G Q9HC16 1/20 0.35
ALDH1A1 P00352 2/20 0.35
ALOX5AP P20292 2/20 0.34
FEN1 P39748 2/20 0.34
TSHR P16473 2/20 0.33
HTT P42858 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
ATR Q13535 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL17987933 0.84 CYP3A4 (0.46) COMTGAATDP1KDM4EMAPT
SCHEMBL17992229 0.83 COMT (0.40) COMTGAATDP1KDM4EMAPT
SCHEMBL19676465 0.83 COMT (0.40) COMTGAATDP1KDM4EMAPT
SCHEMBL17992223 0.83 COMT (0.40) COMTGAATDP1KDM4EMAPT
SCHEMBL19404373 0.83 COMT (0.47) COMTGAATDP1KDM4EMAPT
SCHEMBL20710642 0.82 P4HTM (0.49) COMTMAPTSMN1; SMN2TRPV1
SCHEMBL19676473 0.82 COMT (0.40) COMTGAATDP1KDM4EMAPT
SCHEMBL20965434 0.81 CYP2A6 (0.43) COMTALOX5APFEN1
SCHEMBL19767067 0.81 CYP2D6 (0.40) COMTTDP1MAPTALDH1A1LMNA
SCHEMBL20710640 0.81 COMT (0.39) COMTGAATDP1KDM4EMAPT

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
EP-3252042-B1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL CO (JP) 2020-03-18 EP disclosed
US-10173997-B2 Bipyridine compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-01-08 US disclosed
US-10172356-B2 Bipyridine compound and use of same for noxious arthropod control SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2019-01-08 US disclosed
US-20180009778-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-01-11 US disclosed
EP-3252042-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL Sumitomo Chemical Company, Limited (JP) 2017-12-06 EP disclosed
WO-2017073733-A1 PEST CONTROL COMPOSITION AND USE THEREOF 住友化学株式会社 2017-05-04 WO disclosed
WO-2016121969-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL 住友化学株式会社 2016-08-04 WO 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-10172356-B2 Bipyridine compound and use of same for noxious arthropod control HSPA5, BBOX1, ACHE COMT 2347/4885GAA 3559/4885TDP1 3702/4885
US-20180009778-A1 BIPYRIDINE COMPOUND AND USE OF SAME FOR NOXIOUS ARTHROPOD CONTROL BBOX1, ACHE, MORF4L1 COMT 1430/4885GAA 3998/4885TDP1 4008/4885
US-10173997-B2 Bipyridine compound and use of same for noxious arthropod control BBOX1, ACHE, MORF4L1 COMT 1430/4885GAA 3998/4885TDP1 4008/4885

“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.