SCHEMBL3594101

SCHEMBL3594101

COC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccco3)c2C(C)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ POLB P06746 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ TOP1 P11387 1/20 0.42
▸ RAB9A P51151 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ ADORA2A P29274 3/20 0.40
▸ ADORA1 P30542 2/20 0.40
▸ ADORA2B P29275 1/20 0.40
▸ UBE2I P63279 1/20 0.40
▸ CACNA1B Q00975 1/20 0.40
▸ APBA1 Q02410 1/20 0.40
▸ SAE1 Q9UBE0 1/20 0.40
▸ UBA2 Q9UBT2 1/20 0.40
▸ PTGS1 P23219 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.38

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
SCHEMBL3592534 0.92 POLB (0.43) MEN1KMT2APOLBGAATOP1
SCHEMBL3585056 0.89 POLB (0.39) MEN1KMT2APOLBGAATOP1
SCHEMBL3598526 0.84 MAPT (0.42) MEN1KMT2AGAARAB9AMAPT
SCHEMBL14390890 0.84 PTGS1 (0.45) MEN1KMT2APOLBGAATOP1
SCHEMBL3597768 0.82 ADORA2A (0.53) MEN1KMT2APOLBGAARAB9A
SCHEMBL3591933 0.81 MAPT (0.40) MEN1KMT2AGAARAB9AMAPT
SCHEMBL3592169 0.79 MAPT (0.40) MEN1KMT2ARAB9AMAPTNPC1
SCHEMBL3591628 0.77 ADORA2A (0.56) MEN1KMT2APOLBGAATOP1
SCHEMBL14390998 0.77 KMT2A (0.51) MEN1KMT2APOLBGAATOP1
SCHEMBL14390863 0.77 PTGS1 (0.42) MEN1KMT2APOLBGAARAB9A

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 MEN1 3516/4885KMT2A 728/4885POLB 66/4885

“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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