SCHEMBL3587275

SCHEMBL3587275

N#Cc1c(-c2ccoc2)cc(-c2cccs2)nc1OCc1cccc(C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.46
▸ ACMSD Q8TDX5 2/20 0.45
▸ SQOR Q9Y6N5 1/20 0.45
▸ MRGPRX4 Q96LA9 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PABPC1 P11940 1/20 0.43
▸ PPP1CA P62136 1/20 0.43
▸ EIF4H Q15056 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HPGD P15428 3/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ NPSR1 Q6W5P4 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ KAT8 Q9H7Z6 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ MAPT P10636 1/20 0.42

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
SCHEMBL3580685 0.91 PDE5A (0.48) KMT2ASQORMEN1PABPC1PPP1CA
SCHEMBL14391139 0.89 ALDH1A1 (0.44) KMT2ASQORMEN1PABPC1PPP1CA
SCHEMBL14390693 0.88 ACMSD (0.46) ACMSDMRGPRX4HPGD
SCHEMBL13545952 0.87 ALDH1A1 (0.46) KMT2ASQORMEN1PABPC1PPP1CA
SCHEMBL14391017 0.87 ALDH1A1 (0.46) KMT2ASQORMEN1PABPC1PPP1CA
SCHEMBL3589299 0.87 KMT2A (0.45) KMT2ASQORMEN1PABPC1PPP1CA
SCHEMBL3585053 0.86 KMT2A (0.46) KMT2AACMSDMEN1PABPC1PPP1CA
SCHEMBL3590359 0.86 KMT2A (0.44) KMT2ASQORMEN1PABPC1PPP1CA
SCHEMBL3584550 0.86 KMT2A (0.44) KMT2ASQORMEN1PABPC1PPP1CA
SCHEMBL3592681 0.85 HPGD (0.49) KMT2ASQORMEN1PABPC1PPP1CA

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 3 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

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 KMT2A 728/4885ACMSD 4770/4885SQOR 3669/4885

“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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