SCHEMBL3390679

SCHEMBL3390679

COc1cccc(N)c1NCCN1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 5/20 0.52
TSHR P16473 1/20 0.52
CYP1A2 P05177 3/20 0.51
CYP3A4 P08684 3/20 0.51
HSD17B10 Q99714 3/20 0.51
LMNA P02545 3/20 0.51
HIF1A Q16665 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
CLK4 Q9HAZ1 2/20 0.49
BCL3 P20749 1/20 0.49
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 2/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL6527607 0.82 CYP2D6 (0.52) CYP2D6TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL6528819 0.80 CYP2D6 (0.58) CYP2D6TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL12312314 0.77 ALDH1A1 (0.50) CYP2D6CYP1A2CYP3A4HSD17B10LMNA
SCHEMBL6528435 0.74 KMT2A (0.51) TSHRHSD17B10LMNAMAPTGAA
SCHEMBL29504400 0.74 KMT2A (0.51) TSHRHSD17B10LMNAMAPTGAA
SCHEMBL13007427 0.73 KDM4E (0.55) CYP2D6TSHRCYP1A2CYP3A4HSD17B10
SCHEMBL8044086 0.73 TSHR (0.46) TSHRHSD17B10LMNATDP1MAPT
SCHEMBL5171284 0.73 KDM4E (0.57) TSHRHSD17B10LMNAHIF1AMAPT
SCHEMBL2011534 0.73 CYP2D6 (0.60) CYP2D6TSHRTDP1KMT2AMEN1
SCHEMBL11456668 0.71 POLB (0.58) TSHRBCL3ALDH1A1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1861377-B1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS PFIZER (US) 2010-12-29 EP disclosed
US-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES PFIZER INC 2009-12-03 US disclosed
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS ANDO KAZUO 2009-07-16 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-20090298811-A1 BENZIMIDAZOLONE DERIVATIVES TRPV1, CNR1, CNR2 CYP2D6 2626/4885TSHR 350/4885CYP1A2 1782/4885
US-20090181957-A1 BENZIMIDAZOLONE DERIVATIVES AS CB2 RECEPTOR LIGANDS TRPV1, CNR1, CNR2 CYP2D6 1795/4885TSHR 405/4885CYP1A2 1751/4885

“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.