SCHEMBL4558448

SCHEMBL4558448

CCC(C)(C)c1nc2cc(C(=O)NN3CCOCC3)ccc2n1CC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 15/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
RORC P51449 2/20 0.44
PTGER4 P35408 1/20 0.44
KCNH2 Q12809 1/20 0.43

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
SCHEMBL4469036 0.87 KMT2A (0.51) CNR2KMT2AALDH1A1PTGER4
SCHEMBL4465784 0.82 CNR2 (0.56) CNR2KMT2AMEN1ALDH1A1THRB
SCHEMBL4474823 0.81 CNR2 (0.49) CNR2KMT2AMEN1ALDH1A1THRB
SCHEMBL4558239 0.78 CNR2 (0.49) CNR2KMT2AMEN1ALDH1A1THRB
SCHEMBL4472570 0.78 CNR2 (0.49) CNR2KMT2AMEN1ALDH1A1THRB
SCHEMBL4479245 0.77 CNR2 (0.50) CNR2KMT2AMEN1ALDH1A1THRB
SCHEMBL4467783 0.77 CNR2 (0.48) CNR2KMT2AMEN1ALDH1A1THRB
SCHEMBL3968288 0.76 CNR2 (0.53) CNR2KMT2AALDH1A1KCNH2
SCHEMBL13876960 0.75 CNR2 (0.52) CNR2ALDH1A1KCNH2
SCHEMBL4467733 0.75 CNR2 (0.59) CNR2KMT2AMEN1ALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US claimed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-7517898-B2 Benzimidazole derivatives, compositions containing them, preparation thereof and uses thereof ASTRAZENECA AB (SE) 2009-04-14 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 US disclosed
US-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof ASTRAZENECA AB (SE) 2007-03-15 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 (1 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-20070060583-A1 Benzimidazole derivatives, compositions containing them, preparation therof and uses thereof BTF3, TYMS, F3 CNR2 1312/4885KMT2A 2858/4885MEN1 2476/4885

“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.