SCHEMBL13545983

SCHEMBL13545983

CC1(C)OCC(c2cc(-c3cccs3)nc(NCc3ccc(C(=O)O)cc3)c2C#N)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.44
▸ PDE1A P54750 1/20 0.44
▸ PDE1B Q01064 1/20 0.44
▸ PDE1C Q14123 1/20 0.44
▸ HPGDS O60760 1/20 0.40
▸ KMT2A Q03164 7/20 0.37
▸ MEN1 O00255 6/20 0.37
▸ PABPC1 P11940 1/20 0.37
▸ PPP1CA P62136 1/20 0.37
▸ EIF4H Q15056 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ UBA2 Q9UBT2 1/20 0.37
▸ ALDH1A1 P00352 9/20 0.37
▸ KDM4E B2RXH2 8/20 0.37
▸ HPGD P15428 8/20 0.37
▸ MAPT P10636 6/20 0.37
▸ GAA P10253 4/20 0.37
▸ HSD17B10 Q99714 3/20 0.37
▸ LMNA P02545 3/20 0.37
▸ HTT P42858 1/20 0.37

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
SCHEMBL3577234 0.85 PDE5A (0.43) PDE5APDE1APDE1BPDE1CHPGDS
SCHEMBL13545985 0.82 PDE5A (0.46) PDE5APDE1APDE1BPDE1CHPGDS
SCHEMBL3588104 0.79 ADORA2A (0.38) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL13545988 0.76 PDE5A (0.46) PDE5APDE1APDE1BPDE1CHPGDS
SCHEMBL3594245 0.76 PDE5A (0.47) PDE5APDE1APDE1BPDE1CHPGDS
SCHEMBL13545982 0.75 PDE5A (0.46) PDE5APDE1APDE1BPDE1CHPGDS
SCHEMBL14385642 0.74 ALDH1A1 (0.37) KMT2AMEN1PABPC1PPP1CAEIF4H
SCHEMBL13545986 0.71 ALDH1A1 (0.47) PDE5APDE1APDE1BPDE1CHPGDS
SCHEMBL3588911 0.69 ADORA2A (0.53) PDE5APDE1APDE1BPDE1CKMT2A
SCHEMBL13545981 0.69 PDE5A (0.47) PDE5APDE1APDE1BPDE1CHPGDS

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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