SCHEMBL5883733

SCHEMBL5883733

c1ccc(Oc2ccc(-c3nc4ccccc4n3CCC3CCCCN3)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY1R P25929 2/20 0.58
PIN1 Q13526 2/20 0.51
LTA4H P09960 5/20 0.50
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 4/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
MCHR1 Q99705 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
DRD2 P14416 3/20 0.47
DRD3 P35462 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 3/20 0.45
HSD17B10 Q99714 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
PDE6D O43924 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL5884145 0.93 NPY1R (0.55) NPY1RPIN1LTA4HKDM4EALDH1A1
SCHEMBL5883817 0.91 NPY1R (0.53) NPY1RPIN1LTA4HKDM4EMCHR1
SCHEMBL5883736 0.85 NPY1R (0.50) NPY1RPIN1LTA4HKDM4EALDH1A1
SCHEMBL5883769 0.84 NPY1R (0.55) NPY1RLTA4HMCHR1DRD2DRD3
SCHEMBL5884179 0.82 NPY1R (0.57) NPY1RKDM4EALDH1A1NPSR1MCHR1
SCHEMBL5883568 0.81 NPY1R (0.48) NPY1RPIN1LTA4HMCHR1LMNA
SCHEMBL5883742 0.78 DRD2 (0.62) PIN1KDM4EALDH1A1NPSR1TSHR
SCHEMBL29056704 0.78 TP53 (0.58) NPY1RKDM4ETSHRMCHR1LMNA
SCHEMBL5883938 0.77 PTGER4 (0.59)
SCHEMBL5883739 0.74 ALDH1A1 (0.46) PIN1LTA4HKDM4EALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US claimed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP claimed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US claimed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 WO claimed
US-7022714-B2 Aryl substituted benzimidazoles and their use as sodium channel blockers EURO-CELTIQUE S.A. (LU) 2006-04-04 US disclosed
EP-1532119-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS Euro-Celtique S.A. (LU) 2005-05-25 EP disclosed
US-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers PURDUE PHARMA L.P. 2004-07-08 US disclosed
WO-2004011439-A2 ARYL SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS SODIUM CHANNEL BLOCKERS EURO-CELTIQUE S.A. (LU) 2004-02-05 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 (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-20040132777-A1 Aryl substituted benzimidazoles and their use as sodium channel blockers CACNA1S, CACNA1I, SCN1A NPY1R 2315/4885PIN1 2416/4885LTA4H 1069/4885

“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.