SCHEMBL583440

SCHEMBL583440

CC(=O)N(C)c1ccc(NCC2CCOCC2)c(NC(=O)C(C)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.41
CREBBP Q92793 1/20 0.41
MAPT P10636 1/20 0.39
RORC P51449 2/20 0.37
LIPC P11150 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
TTK P33981 2/20 0.35
CNR1 P21554 2/20 0.35
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
PIP5K1C O60331 1/20 0.35
BRD4 O60885 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL584616 0.81 PTGER4 (0.46) CNR2CREBBPRORCPIP5K1CBRD4
Hydrochloric Acid SCHEMBL3917055 0.80 PTGER4 (0.46) CNR2CREBBPRORCPIP5K1CBRD4
SCHEMBL14116648 0.79 RORC (0.37) CNR2CREBBPRORCLIPCLIPG
SCHEMBL585719 0.78 MAPT (0.46) MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL1608768 0.73 CREBBP (0.44) CNR2CREBBPMAPTCNR1BRD4
SCHEMBL3995887 0.73 CREBBP (0.43) CNR2CREBBPMAPTLIPCLIPG
SCHEMBL3997595 0.72 ALDH1A1 (0.48) CNR2CREBBPRORCPTGS1PTGS2
SCHEMBL585072 0.72 PTGER4 (0.46) CNR2CREBBPMAPTRORCLIPC
SCHEMBL5264091 0.72 CREBBP (0.58) CREBBPLIPCLIPGTTKBRD4
SCHEMBL1609240 0.71 CNR2 (0.44) CNR2CREBBPMAPTCNR1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
EP-1797077-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF I ASTRAZENECA AB (SE) 2012-02-15 EP disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US disclosed
US-7550495-B2 Compounds, compositions containing them, preparation thereof and uses thereof I ASTRAZENECA AB (SE) 2009-06-23 US 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
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
US-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I ASTRAZENECA AB (SE) 2006-11-23 US disclosed
EP-1673369-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF AstraZeneca AB (SE) 2006-06-28 EP disclosed
EP-1670770-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF AND USES THEREOF AstraZeneca AB (SE) 2006-06-21 EP disclosed
WO-2005030761-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2005-04-07 WO disclosed
WO-2005030733-A1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEROF 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 (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-20060264490-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR2 83/4885CREBBP 2071/4885MAPT 2921/4885
US-20070082899-A1 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof F12, H1-3, H1-4 CNR2 697/4885CREBBP 1079/4885MAPT 4445/4885
US-20070072853-A1 Benzimidazole derivatives compositions containing them, preparation thereof and uses thereof RB1, CYP2C19, ADRB3 CNR2 202/4885CREBBP 996/4885MAPT 3892/4885
US-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R CNR2 83/4885CREBBP 2071/4885MAPT 2921/4885

“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.