SCHEMBL16229258

SCHEMBL16229258

COc1cc(NC(=O)C(F)(F)F)c(Br)c(OC)c1Br

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.49
CYP2C19 P33261 3/20 0.49
CYP1A2 P05177 2/20 0.49
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40
ABCB1 P08183 1/20 0.37
CYP3A4 P08684 2/20 0.36
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ABCC9 O60706 1/20 0.36
ABCC8 Q09428 1/20 0.36
KCNJ11 Q14654 1/20 0.36
KCNJ8 Q15842 1/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 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
SCHEMBL15680112 0.82 TSHR (0.49) CYP2C9CYP2C19CYP1A2TSHRNPSR1
SCHEMBL15680115 0.82 CYP2C19 (0.33) CYP2C9CYP2C19CYP1A2ABCB1CYP3A4
SCHEMBL23885407 0.80 CYP1A2 (0.56) CYP2C9CYP2C19CYP1A2TSHRNPSR1
SCHEMBL30254696 0.80 CYP1A2 (0.56) CYP2C9CYP2C19CYP1A2TSHRNPSR1
SCHEMBL23885028 0.79 CYP1A2 (0.51) CYP2C9CYP2C19CYP1A2TSHRNPSR1
SCHEMBL30254957 0.79 CYP1A2 (0.51) CYP2C9CYP2C19CYP1A2TSHRNPSR1
SCHEMBL15680113 0.78 CYP1A2 (0.54) CYP2C9CYP2C19CYP1A2TSHRNPSR1
SCHEMBL15680117 0.78 CYP2C9 (0.67) CYP2C9CYP2C19CYP1A2PDK1PDK2
SCHEMBL4568238 0.77 CYP1A2 (0.49) CYP2C9CYP2C19CYP1A2TSHRNPSR1
SCHEMBL4568236 0.77 CYP1A2 (0.49) CYP2C9CYP2C19CYP1A2TSHRNPSR1

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-9346743-B2 Processes for the synthesis of 2-amino-4,6-dimethoxybenzamide and other benzamide compounds ALBEMARLE CORPORATION (US) 2016-05-24 US disclosed
US-9346743-B2 Processes for the synthesis of 2-amino-4,6-dimethoxybenzamide and other benzamide compounds ALBEMARLE CORPORATION (US) 2016-05-24 US disclosed
US-20160102046-A1 PROCESSES FOR THE SYNTHESIS OF 2-AMINO-4,6-DIMETHOXYBENZAMIDE AND OTHER BENZAMIDE COMPOUNDS ALBEMARLE CORPORATION (US) 2016-04-14 US disclosed
US-20160102046-A1 PROCESSES FOR THE SYNTHESIS OF 2-AMINO-4,6-DIMETHOXYBENZAMIDE AND OTHER BENZAMIDE COMPOUNDS ALBEMARLE CORPORATION (US) 2016-04-14 US disclosed
US-8884046-B2 Compounds useful in the synthesis of benzamide compounds RESVERLOGIX CORP. (CA) 2014-11-11 US disclosed
US-8884046-B2 Compounds useful in the synthesis of benzamide compounds RESVERLOGIX CORP. (CA) 2014-11-11 US disclosed
US-20140107369-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF BENZAMIDE COMPOUNDS RESVERLOGIX CORP. (CA) 2014-04-17 US disclosed
US-20140107369-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF BENZAMIDE COMPOUNDS RESVERLOGIX CORP. (CA) 2014-04-17 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 (2 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-20160102046-A1 PROCESSES FOR THE SYNTHESIS OF 2-AMINO-4,6-DIMETHOXYBENZAMIDE AND OTHER BENZAMIDE COMPOUNDS ALKBH3, ALKBH2, ALKBH1 CYP2C9 865/4885CYP2C19 1080/4885CYP1A2 341/4885
US-20140107369-A1 COMPOUNDS USEFUL IN THE SYNTHESIS OF BENZAMIDE COMPOUNDS DDC, AADAC, BRD4 CYP2C9 1184/4885CYP2C19 968/4885CYP1A2 780/4885

“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.