SCHEMBL12417612

SCHEMBL12417612

CNC(=O)c1c(O)ccn(C(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CA9 Q16790 2/20 0.35
CA14 Q9ULX7 2/20 0.35
EGFR P00533 2/20 0.34
SRC P12931 1/20 0.34
BRD4 O60885 4/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 2/20 0.32
LMNA P02545 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL12417622 0.80 BRD4 (0.42) CA12CA1CA2CA7CA9
SCHEMBL12417619 0.74 BRD4 (0.38) EGFRSRCBRD4BRD2BRD3
SCHEMBL12417637 0.73 TSHR (0.37) EGFRSRCBRD4ALDH1A1HTT
SCHEMBL12417627 0.70 KDM4E (0.40) ALDH1A1HTTLMNAKDM4EGLA
SCHEMBL25604472 0.69 HDAC8 (0.42) BRD4BRD2BRD3BRDTHTT
SCHEMBL24296920 0.69 PTGS2 (0.31) EGFRSRC
SCHEMBL12417609 0.69 PLK1 (0.35) CA12CA1CA2CA7CA9
SCHEMBL27218066 0.68 PTGS2 (0.34) ALDH1A1HTTKDM4EGAA
SCHEMBL29868736 0.67 BRD4 (0.33) EGFRSRCBRD4LMNAPOLB
SCHEMBL6501339 0.67 CA12 (0.58) TAS1R3TAS1R1TAS1R2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304437-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME ARIMORI SADAYUKI 2011-07-14 US disclosed
US-7943638-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7943614-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-17 US disclosed
US-7935716-B2 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-05-03 US disclosed
US-20090111815-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111852-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090076063-A1 Carboxamide compound and use of the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-19 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 (4 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-20090111852-A1 Carboxamide Compound and Use of the Same CBR3, H1-3, H1-0 TAS1R3 1396/4885TAS1R1 1136/4885TAS1R2 1107/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 TAS1R3 1153/4885TAS1R1 997/4885TAS1R2 779/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 TAS1R3 1153/4885TAS1R1 997/4885TAS1R2 779/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 TAS1R3 3000/4885TAS1R1 2494/4885TAS1R2 2280/4885

“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.