SCHEMBL6487591

SCHEMBL6487591

COc1ccccc1C(Cl)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1B Q01064 2/20 0.43
IDO1 P14902 1/20 0.42
TDO2 P48775 1/20 0.42
AOC3 Q16853 1/20 0.41
HDAC4 P56524 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
CNR2 P34972 1/20 0.40
NFE2L2 Q16236 1/20 0.40
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
RORC P51449 2/20 0.39
RORB Q92753 2/20 0.39

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
SCHEMBL18496496 0.82 IDO1 (0.55) IDO1TDO2ALDH1A1NPSR1L3MBTL1
SCHEMBL4938893 0.81 BCHE (0.51) PDE1BIDO1TDO2AOC3CNR2
SCHEMBL6487587 0.80 ALDH1A1 (0.51) IDO1TDO2CNR2ALDH1A1NPSR1
SCHEMBL8030505 0.78 CA1 (0.57) IDO1TDO2ALDH1A1NPSR1L3MBTL1
SCHEMBL28572102 0.76 NPSR1 (0.45) ALDH1A1NPSR1L3MBTL1LPAR1MEN1
SCHEMBL11614094 0.75 ACP3 (0.47) AOC3ALDH1A1ACP3MEN1KMT2A
SCHEMBL29712699 0.75 ACP3 (0.47) AOC3ALDH1A1ACP3MEN1KMT2A
SCHEMBL15536895 0.74 ACP3 (0.52) IDO1TDO2ALDH1A1NPSR1ACP3
SCHEMBL7306575 0.72 HTR6 (0.54) PDE1BAOC3ALDH1A1NPSR1L3MBTL1
SCHEMBL15136380 0.72 MEN1 (0.47) PDE1BHDAC8ALDH1A1NPSR1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6933322-B2 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH (US) 2005-08-23 US disclosed
US-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus WYETH 2003-11-20 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-20030216442-A1 Substituted naphthylenes for the treatment of non-insulin dependent diabetes mellitus INSR, GPR119, SLC5A1 PDE1B 3290/4885IDO1 1894/4885TDO2 4303/4885

“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.