SCHEMBL3890233

SCHEMBL3890233

COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)c2cccc(Br)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
TSHR P16473 3/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SLC2A1 P11166 6/20 0.47
MAPT P10636 2/20 0.46
SLC2A4 P14672 2/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
USP2 O75604 1/20 0.44
LPAR1 Q92633 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
SLC2A8 Q9NY64 1/20 0.43

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
SCHEMBL24344602 0.90 ALDH1A1 (0.58) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL24343918 0.83 KMT2A (0.52) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL6820180 0.78 TDP1 (0.56) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL31345432 0.78 TAS2R14 (0.46)
SCHEMBL24344606 0.77 SLC2A1 (0.56) TSHRSLC2A1SLC2A4POLBLPAR1
SCHEMBL31345391 0.77 APLNR (0.44) MEN1KMT2A
SCHEMBL25358359 0.75 SLC2A1 (0.51) ALDH1A1NPSR1TDP1TSHRMEN1
SCHEMBL10258703 0.75 ALDH1A1 (0.46) ALDH1A1TDP1MAPT
SCHEMBL9827481 0.75 KMT2A (0.56) ALDH1A1NPSR1MEN1KMT2AMAPT
SCHEMBL24343905 0.74 SLC2A1 (0.51) ALDH1A1NPSR1TSHRMEN1KMT2A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601742-B2 4-(3-Hydroxy-4-methoxyphenyl)-pyrrolidin-2-one and derivatives; reverse transcriptase inhibitors; AIDS IRM LLC (BM) 2009-10-13 US disclosed
US-7495016-B2 Pyrrolidones with anti-HIV activity IRM LLC (BM) 2009-02-24 US disclosed
US-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2008-10-16 US disclosed
US-20040157859-A1 Pyrrolidones with anti-HIV activity IRM LLC, A DELAWARE LLC (BM) 2004-08-12 US disclosed
WO-2004037784-A2 PYRROLIDONES WITH ANTI-HIV ACTIVITY IRM LLC (BM) 2004-05-06 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 (2 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-20080255136-A1 PYRROLIDONES WITH ANTI-HIV ACTIVITY PREP, DHPS, PDCD11 ALDH1A1 1894/4885NPSR1 2745/4885TDP1 1113/4885
US-20040157859-A1 Pyrrolidones with anti-HIV activity PREP, DHPS, PDCD11 ALDH1A1 1894/4885NPSR1 2745/4885TDP1 1113/4885

“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.