SCHEMBL1609124

SCHEMBL1609124

CC(=O)Nc1ccc(NCC2CCOCC2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.48
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
BRD4 O60885 1/20 0.43
PIK3C3 Q8NEB9 1/20 0.42
CREBBP Q92793 1/20 0.41
HDAC1 Q13547 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC2 Q92769 2/20 0.40
MAPK14 Q16539 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
KCNH3 Q9ULD8 1/20 0.38

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
SCHEMBL5881733 0.91 PTGER4 (0.56) PTGER4TDP1PIK3C3HDAC1CYP1A2
SCHEMBL3926362 0.89 PTGER4 (0.49) PTGER4BRD4CREBBPHDAC1HDAC3
SCHEMBL10048477 0.88 PTGER4 (0.49) PTGER4CREBBPHDAC1HDAC3HDAC2
SCHEMBL584389 0.88 PTGER4 (0.51) PTGER4TDP1PIK3C3HDAC1ALDH1A1
SCHEMBL3970983 0.88 PTGER4 (0.50) PTGER4TDP1PIK3C3HDAC1ALDH1A1
SCHEMBL24320321 0.84 TDP1 (0.44) PTGER4MAPTTDP1HDAC1CYP1A2
SCHEMBL26914476 0.84 TDP1 (0.44) PTGER4MAPTTDP1HDAC1CYP1A2
SCHEMBL584850 0.83 PTGER4 (0.46) PTGER4TDP1PIK3C3HDAC1ALDH1A1
SCHEMBL14116543 0.83 HTT (0.44) MAPTTDP1BRD4CREBBPCYP1A2
SCHEMBL1608768 0.82 CREBBP (0.44) MAPTBRD4PIK3C3CREBBPCYP1A2

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-20110086853-A1 Therapeutic Compounds BROWN WILLIAM 2011-04-14 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-7615642-B2 Therapeutic compounds ASTRAZENECA AB (SE) 2009-11-10 US disclosed
EP-1797078-A4 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2009-04-01 EP disclosed
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP disclosed
EP-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1670770-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF ASTRAZENECA AB (SE) 2008-08-20 EP disclosed
EP-1797078-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III AstraZeneca AB (SE) 2007-06-20 EP disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-04-12 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2007-03-29 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
WO-2006033630-A1 COMPOUNDS, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF III ASTRAZENECA AB (SE) 2006-03-30 WO disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 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-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 PTGER4 32/4885MAPT 4445/4885TDP1 3087/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 PTGER4 46/4885MAPT 3892/4885TDP1 3849/4885
US-20110086853-A1 Therapeutic Compounds OPRL1, F12, F3 PTGER4 76/4885MAPT 1870/4885TDP1 3637/4885

“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.