SCHEMBL6835533

SCHEMBL6835533

COc1ccc2c(c1)-c1nc(-c3ccccc3)[nH]c1CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 12/20 1.00
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 3/20 0.50
TP53 P04637 3/20 0.50
NPC1 O15118 1/20 0.50
HPGD P15428 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
RAB9A P51151 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MAPK13 O15264 2/20 0.46
RAF1 P04049 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
MAPK14 Q16539 2/20 0.46
MAPT P10636 3/20 0.46
MPI P34949 1/20 0.46

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
SCHEMBL6836945 0.93 NPY5R (1.00) NPY5RKDM4EALDH1A1TP53NPC1
SCHEMBL6835529 0.82 NPY5R (1.00) NPY5RMAPK13RAF1MAPK12MAPK11
SCHEMBL6837065 0.81 NPY5R (1.00) NPY5R
SCHEMBL6835590 0.78 NPY5R (1.00) NPY5RALDH1A1TP53NPC1HPGD
SCHEMBL12567895 0.72 NPY5R (0.57) NPY5RKDM4EALDH1A1NPC1HPGD
SCHEMBL7080743 0.70 TYMS (0.57) NPY5RKDM4EALDH1A1MAPTMPI
SCHEMBL4741122 0.68 TYMS (0.55) NPY5RKDM4EALDH1A1MAPTMPI
SCHEMBL2340188 0.68 ALDH1A1 (0.62) NPY5RALDH1A1MAPK14
SCHEMBL2324292 0.67 NPC1 (0.78) NPY5RKDM4EALDH1A1TP53NPC1
SCHEMBL15400046 0.67 MAPK13 (0.86) KDM4EALDH1A1TP53HPGDMAPK13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198791-A1 Fused imidazole derivative FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-10-07 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-20040198791-A1 Fused imidazole derivative H1-0, H1-5, H1-3 NPY5R 983/4885KDM4E 3547/4885ALDH1A1 784/4885

“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.