SCHEMBL12417622

SCHEMBL12417622

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
EGFR P00533 2/20 0.41
SRC P12931 1/20 0.41
LIPG Q9Y5X9 5/20 0.38
LIPC P11150 1/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
KDM6A O15550 1/20 0.36
KDM4A O75164 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM5C P41229 1/20 0.36
KDM2B Q8NHM5 1/20 0.36
DOHH Q9BU89 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD2 P25440 1/20 0.36
BRD3 Q15059 1/20 0.36

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
SCHEMBL12809054 0.85 KDM4E (0.37) BRD4LIPGLIPCKDM4EKDM6A
SCHEMBL12417619 0.80 BRD4 (0.38) BRD4EGFRSRCTSHRKDM4E
SCHEMBL12417612 0.80 TAS1R3 (0.36) BRD4EGFRSRCKDM4EHPGD
SCHEMBL23356002 0.79 CA12 (0.46) BRD4LIPGKDM4EKDM6AKDM4A
SCHEMBL1400324 0.78 CA12 (0.57) BRD4TSHRKDM4ECYP2C9HPGD
SCHEMBL1399894 0.76 XDH (0.49) KDM4EHTTNPC1RAB9A
SCHEMBL12033675 0.74 KDM4E (0.47) BRD4KDM4EKDM6AKDM4ACYP2C9
SCHEMBL12417609 0.74 PLK1 (0.35) BRD4TSHRKDM4EBRD2BRD3
SCHEMBL1777177 0.73 RAB9A (0.41) BRD4TSHRKDM4ECYP2C9CYP2C19
SCHEMBL11228889 0.73 NPC1 (0.42) BRD4EGFRSRCTSHRKDM4E

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-20090111852-A1 Carboxamide Compound and Use of the Same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-04-30 US disclosed
US-20090111815-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 BRD4 27/4885EGFR 4431/4885SRC 4609/4885
US-20090076063-A1 Carboxamide compound and use of the same CBR3, SIRT2, SIRT1 BRD4 5/4885EGFR 3372/4885SRC 4453/4885
US-20110172276-A1 CARBOXAMIDE COMPOUND AND USE OF THE SAME CBR3, SIRT2, SIRT1 BRD4 5/4885EGFR 3372/4885SRC 4453/4885
US-20090111815-A1 Carboxamide Compound and Use of the Same NAA50, SIRT1, NQO2 BRD4 19/4885EGFR 3994/4885SRC 4174/4885

“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.