SCHEMBL6538769

SCHEMBL6538769

COc1ccccc1-c1[nH]c(=O)ccc1-c1ccc(=O)n(C(C)C)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
PDE1C Q14123 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MPO P05164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HCAR1 Q9BXC0 1/20 0.36
PTPRC P08575 1/20 0.35
PTPN1 P18031 1/20 0.35
PDE9A O76083 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35

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
SCHEMBL6538958 0.84 HCAR1 (0.32) HCAR1
SCHEMBL6538503 0.83 PDE1A (0.39) PDE1APDE1BPDE1CALDH1A1PDE9A
SCHEMBL6538758 0.82 PDE10A (0.38) ALDH1A1KDM4E
SCHEMBL6539121 0.81 PDE10A (0.45) KDM4E
SCHEMBL6539134 0.79 BRD4 (0.39) ALDH1A1PDE9A
SCHEMBL6538527 0.78 PDE10A (0.40)
SCHEMBL6539109 0.73 CRBN (0.38) PDE1APDE1BPDE1CALDH1A1L3MBTL1
SCHEMBL6133855 0.73 ADORA2A (0.48) PDE1APDE1BPDE1CALDH1A1
SCHEMBL6539117 0.71 PDE1A (0.43) PDE1APDE1BPDE1CALDH1A1
SCHEMBL7364069 0.68 PDE1A (0.39) PDE1APDE1BPDE1CALDH1A1KDM4E

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.