SCHEMBL10048485

SCHEMBL10048485

COC(=O)Nc1ccc(NCC2CCC(F)(F)CC2)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.47
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
KCNQ4 P56696 1/20 0.38
KCNQ5 Q9NR82 1/20 0.38
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TNIK Q9UKE5 1/20 0.35
KMT2A Q03164 2/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
MEN1 O00255 1/20 0.35
NQO2 P16083 1/20 0.35
P2RX7 Q99572 2/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ANO1 Q5XXA6 1/20 0.34
RORC P51449 1/20 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
SCHEMBL5881896 0.90 PTGER4 (0.57) PTGER4KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL584850 0.89 PTGER4 (0.46) PTGER4HDAC1HDAC2LIPCLIPG
SCHEMBL3923613 0.87 PTGER4 (0.47) PTGER4KCNQ3KCNQ2KCNQ4KCNQ5
SCHEMBL13876936 0.86 PTGER4 (0.51) PTGER4ALDH1A1TP53
SCHEMBL10048477 0.84 PTGER4 (0.49) PTGER4HDAC1HDAC2KMT2AHPGD
SCHEMBL13886053 0.84 KMT2A (0.35) PTGER4KMT2ALIPCLIPGMEN1
SCHEMBL10048482 0.83 MAPT (0.44) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL3765728 0.82 PTGER4 (0.64) PTGER4HPGDALDH1A1SMN1; SMN2
SCHEMBL584294 0.79 CNR2 (0.48) PTGER4HPGDALDH1A1SMN1; SMN2
SCHEMBL5881733 0.77 PTGER4 (0.56) PTGER4HDAC1HDAC2LIPCLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US disclosed
US-8633235-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof NEOMED INSTITUTE (CA) 2014-01-21 US 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-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-1670769-B1 BENZIMIDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING THEM, PREPARATION THEREOF AND USES THEREOF ASTRAZENECA AB (SE) 2009-04-29 EP disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 US disclosed
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof ASTRAZENECA AB (SE) 2008-08-28 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-20090221657-A1 Compounds, Compositions Containing Them, Preparation Thereof and Uses Thereof I F12, C1S, C1R PTGER4 102/4885KCNQ3 249/4885KCNQ2 370/4885
US-20080207612-A1 Benzimidazole Derivatives, Compositions Containing Them, Preparation Thereof and Uses Thereof CYP3A4, CYP2C19, H1-3 PTGER4 54/4885KCNQ3 138/4885KCNQ2 238/4885

“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.