SCHEMBL13545981

SCHEMBL13545981

N#Cc1c(C2CCCO2)cc(-c2cccs2)nc1OCc1ccc(C(=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.47
▸ PDE1A P54750 1/20 0.47
▸ PDE1B Q01064 1/20 0.47
▸ PDE1C Q14123 1/20 0.47
▸ KDM4E B2RXH2 5/20 0.38
▸ GLP1R P43220 3/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ SQOR Q9Y6N5 1/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ HPGD P15428 5/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ RXFP1 Q9HBX9 2/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ PPP1CA P62136 1/20 0.35
▸ EIF4H Q15056 1/20 0.35
▸ SAE1 Q9UBE0 1/20 0.35
▸ UBA2 Q9UBT2 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
SCHEMBL3580550 0.86 PDE5A (0.45) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3577234 0.84 PDE5A (0.43) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3585863 0.79 PDE5A (0.46) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3591628 0.78 ADORA2A (0.56) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3580685 0.78 PDE5A (0.48) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3589518 0.78 ADORA2A (0.39) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3588104 0.77 ADORA2A (0.38) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3590231 0.76 ALDH1A1 (0.56) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3592649 0.76 PDE5A (0.46) PDE5APDE1APDE1BPDE1CKDM4E
SCHEMBL3594942 0.75 PDE5A (0.46) PDE5APDE1APDE1BPDE1CKDM4E

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-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — 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-20100009973-A1 Integrase Inhibitors 3 TYMP, IMPDH1, IMPDH2 PDE5A 531/4885PDE1A 2156/4885PDE1B 2475/4885

“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.

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