SCHEMBL3594942

SCHEMBL3594942

CCc1ccc(-c2cc(-c3cccs3)nc(OCc3ccc(C(=O)O)cc3)c2C#N)o1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.46
▸ PDE1A P54750 1/20 0.46
▸ PDE1B Q01064 1/20 0.46
▸ PDE1C Q14123 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.42
▸ HPGD P15428 6/20 0.42
▸ KDM4E B2RXH2 6/20 0.42
▸ NPSR1 Q6W5P4 4/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SQOR Q9Y6N5 1/20 0.41
▸ KMT2A Q03164 6/20 0.41
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 5/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ GLA P06280 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ POLB P06746 3/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ PPP1CA P62136 1/20 0.39

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
SCHEMBL3582806 0.92 TSHR (0.43) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL14390908 0.87 HPGDS (0.39) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3595419 0.85 ALDH1A1 (0.47) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3591628 0.85 ADORA2A (0.56) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3592649 0.84 PDE5A (0.46) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL13545982 0.84 PDE5A (0.46) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3590688 0.81 ADORA2A (0.56) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3580685 0.81 PDE5A (0.48) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3590231 0.81 ALDH1A1 (0.56) PDE5APDE1APDE1BPDE1CALDH1A1
SCHEMBL3593738 0.78 HPGD (0.45) ALDH1A1HPGDKDM4ENPSR1TDP1

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 4 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
US-20100009973-A1 Integrase Inhibitors 3 AVEXA LIMITED (AU) 2010-01-14 — — US disclosed
WO-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO 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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