SCHEMBL6727129

SCHEMBL6727129

COC(=O)c1cc(NC=O)c(N)c(F)c1Nc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.46
ALOX15 P16050 1/20 0.46
CXCR2 P25025 1/20 0.43
ALDH1A1 P00352 4/20 0.38
CFTR P13569 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 5/20 0.36
KMT2A Q03164 5/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 1/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
TSHR P16473 3/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 2/20 0.34

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
SCHEMBL6727065 0.87 MAPT (0.49) MAPTALOX15CXCR2ALDH1A1CFTR
SCHEMBL4545983 0.83 MAPT (0.49) MAPTALOX15CXCR2ALDH1A1CFTR
SCHEMBL24455292 0.81 ALOX15 (0.43) MAPTALOX15CXCR2ALDH1A1CFTR
SCHEMBL29687400 0.81 ALOX15 (0.43) MAPTALOX15CXCR2ALDH1A1CFTR
SCHEMBL1040683 0.77 MEN1 (0.43) MAPTALOX15CXCR2ALDH1A1MEN1
SCHEMBL30746848 0.77 MEN1 (0.43) MAPTALOX15CXCR2ALDH1A1MEN1
SCHEMBL31366874 0.77 MAPT (0.48) MAPTALOX15CXCR2ALDH1A1MEN1
SCHEMBL31366873 0.74 MAPT (0.48) MAPTALOX15CXCR2ALDH1A1CFTR
SCHEMBL5740305 0.74 MEN1 (0.41) MAPTALOX15CXCR2ALDH1A1MEN1
SCHEMBL31366880 0.72 MAPT (0.54) MAPTALOX15CXCR2ALDH1A1CFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904481-B1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC (US) 2016-02-17 EP disclosed
US-9024040-B2 Processes for preparing benzimidazole compounds ARRAY BIOPHARMA INC. (US) 2015-05-05 US disclosed
US-20130245279-A1 PROCESSES FOR PREPARING BENZIMIDAZOLE COMPOUNDS ALEXION PHARMA INTERNATIONAL OPERATIONS LIMITED (IE) 2013-09-19 US disclosed
US-8501956-B2 Benzimidazole compounds ARRAY BIOPHARMA INC. (US) 2013-08-06 US disclosed
US-8383832-B2 Process for preparing benzimidazole compounds ARRAY BIOPHARMA INC. (US) 2013-02-26 US disclosed
US-8183385-B2 SNAR process for preparing benzimidazole compounds ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed
US-8183385-B2 SNAR process for preparing benzimidazole compounds ARRAY BIOPHARMA INC. (US) 2012-05-22 US disclosed
US-20110319631-A1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2011-12-29 US disclosed
US-20110319632-A1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2011-12-29 US disclosed
US-8039637-B2 Process for preparing benzimidazole compounds ARRAY BIOPHARMA INC. (US) 2011-10-18 US disclosed
US-8039637-B2 Process for preparing benzimidazole compounds ARRAY BIOPHARMA INC. (US) 2011-10-18 US disclosed
US-20100145065-A1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
US-20100145065-A1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2010-06-10 US disclosed
US-20100130748-A1 SNAR PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2010-05-27 US disclosed
US-20100130748-A1 SNAR PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2010-05-27 US disclosed
WO-2007002157-A2 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2007-01-04 WO disclosed
WO-2007002092-A1 SNAr PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS ARRAY BIOPHARMA INC. (US) 2007-01-04 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 (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-20100130748-A1 SNAR PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS SMARCC2, C1R, SMARCC1 MAPT 4306/4885ALOX15 4402/4885CXCR2 1368/4885
US-20110319632-A1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS CYP3A5, H1-5, CYP3A4 MAPT 4177/4885ALOX15 4243/4885CXCR2 2789/4885
US-20100145065-A1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS CYP2E1, CYP1A1, F12 MAPT 4485/4885ALOX15 3335/4885CXCR2 2438/4885
US-20130245279-A1 PROCESSES FOR PREPARING BENZIMIDAZOLE COMPOUNDS TBCB, UQCRB, CYP3A5 MAPT 3969/4885ALOX15 4060/4885CXCR2 2581/4885
US-20110319631-A1 PROCESS FOR PREPARING BENZIMIDAZOLE COMPOUNDS CYP1B1, CCNB1, F12 MAPT 4487/4885ALOX15 2997/4885CXCR2 1846/4885

“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.