SCHEMBL6538503

SCHEMBL6538503

COc1ccccc1-c1[nH]c(=O)c(Cl)cc1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
PDGFRB P09619 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
IDH1 O75874 1/20 0.35
PARP1 P09874 1/20 0.35
PDE9A O76083 1/20 0.35
STK10 O94804 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
SLK Q9H2G2 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL6538769 0.83 PDE1A (0.39) PDE1APDE1BPDE1CALDH1A1PDE9A
SCHEMBL6538043 0.82 CDK4 (0.39) HTR2AHTR2CHTR2BLMNAMAPT
SCHEMBL6538812 0.82 SERPINE1 (0.42) ALDH1A1LMNAPDGFRBPDE9AGSK3B
SCHEMBL6539117 0.78 PDE1A (0.43) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL6539109 0.70 CRBN (0.38) PDE1APDE1BPDE1CALDH1A1PDE9A
SCHEMBL6539233 0.70 GABRA1 (0.40) ALDH1A1MAPT
SCHEMBL6133855 0.69 ADORA2A (0.48) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL6539726 0.68 HPGD (0.48) PDE1APDE1BPDE1CALDH1A1LMNA
SCHEMBL6539032 0.67 TP53 (0.38) LMNAMAPTGSK3B
SCHEMBL6538407 0.67 CA2 (0.38) LMNAMAPT

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 PDE1A 391/4885PDE1B 415/4885PDE1C 524/4885

“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.