SCHEMBL6539109

SCHEMBL6539109

COc1ccccc1C1=C(c2ccc(=O)n(C(C)C)n2)CCC(=O)N1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 3/20 0.38
DDB1 Q16531 2/20 0.37
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
PDE9A O76083 1/20 0.34
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33

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
SCHEMBL6539443 0.84 CRBN (0.34) CRBNDDB1ALDH1A1
SCHEMBL6539323 0.82 DDB1 (0.40) CRBNDDB1ALDH1A1HPGD
SCHEMBL6539735 0.80 HTR2A (0.41) CRBNDDB1USP2
SCHEMBL6538291 0.79 BRD4 (0.39) CRBNDDB1MEN1KMT2APDE9A
SCHEMBL6539242 0.77 HTR2A (0.39) CRBNDDB1
SCHEMBL6538769 0.73 PDE1A (0.39) PDE1APDE1BPDE1CALDH1A1PDE9A
SCHEMBL6538503 0.70 PDE1A (0.39) PDE1APDE1BPDE1CALDH1A1PDE9A
SCHEMBL6133855 0.69 ADORA2A (0.48) PDE1APDE1BPDE1CALDH1A1NPSR1
SCHEMBL6539117 0.67 PDE1A (0.43) PDE1APDE1BPDE1CALDH1A1MEN1
SCHEMBL7364069 0.66 PDE1A (0.39) PDE1APDE1BPDE1CALDH1A1HPGD

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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 2004-04-08 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-20040067955-A1 Pyridazinone compound and pharmaceutical use thereof ADORA1, ADORA2A, P2RX5 CRBN 2729/4885DDB1 3086/4885PDE1A 391/4885

“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.