SCHEMBL18020580

SCHEMBL18020580

N=Cc1c(-c2ccco2)nc(SCC(=O)Nc2nc(-c3ccccc3)cs2)[nH]c1=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.56
▸ KMT2A Q03164 10/20 0.56
▸ POLB P06746 2/20 0.55
▸ TDP1 Q9NUW8 2/20 0.55
▸ DNMT1 P26358 1/20 0.55
▸ LMNA P02545 5/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.53
▸ MAPT P10636 8/20 0.49
▸ MAPK1 P28482 5/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ GAA P10253 3/20 0.49
▸ MGAM O43451 1/20 0.49
▸ SI P14410 1/20 0.49
▸ MGAM2 Q2M2H8 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ NTRK1 P04629 1/20 0.49
▸ BACE1 P56817 1/20 0.48
▸ HPGD P15428 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ KDM4C Q9H3R0 1/20 0.48

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
SCHEMBL18020568 0.86 BACE1 (0.62) MEN1KMT2APOLBTDP1DNMT1
SCHEMBL5698591 0.68 MEN1 (0.60) MEN1KMT2APOLBTDP1DNMT1
SCHEMBL837694 0.67 GAA (0.68) MEN1KMT2APOLBTDP1DNMT1
SCHEMBL3253804 0.66 ROCK1 (0.68) MEN1KMT2APOLBTDP1LMNA
SCHEMBL15630753 0.66 KMT2A (0.63) MEN1KMT2APOLBTDP1LMNA
SCHEMBL225327 0.65 ELOVL1 (0.74) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL16504337 0.64 MEN1 (1.00) MEN1KMT2APOLBTDP1DNMT1
SCHEMBL17107189 0.64 RAB9A (1.00) MEN1KMT2APOLBLMNAMAPT
SCHEMBL1357607 0.64 ELOVL1 (0.72) MEN1KMT2ALMNAMAPTMAPK1
SCHEMBL21224224 0.64 ELOVL1 (0.72) MEN1KMT2ALMNAMAPTMAPK1

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-9925190-B2 Small molecules targeting HIV-1 Nef University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2018-03-27 — — US disclosed
US-20160235750-A1 SMALL MOLECULES TARGETING HIV-1 NEF University of Pittsburgh - of the Commonwealth Sys tem of Higher Education (US) 2016-08-18 — — 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-20160235750-A1 SMALL MOLECULES TARGETING HIV-1 NEF SLC43A1, NAT1, CD4 MEN1 4429/4885KMT2A 2565/4885POLB 2256/4885

“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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