SCHEMBL624099

SCHEMBL624099

N=C1NC(=O)/C(=C\c2ccco2)S1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.55
▸ KMT2A Q03164 8/20 0.55
▸ MAPT P10636 7/20 0.55
▸ POLB P06746 5/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ L3MBTL1 Q9Y468 3/20 0.55
▸ RAB9A P51151 2/20 0.55
▸ MAPK1 P28482 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ HPGD P15428 1/20 0.55
▸ GSK3A P49840 4/20 0.52
▸ GSK3B P49841 4/20 0.52
▸ KDM4E B2RXH2 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ RECQL P46063 3/20 0.52
▸ SAE1 Q9UBE0 3/20 0.52
▸ UBA2 Q9UBT2 3/20 0.52
▸ BLM P54132 2/20 0.52
▸ APEX1 P27695 2/20 0.52
▸ USP2 O75604 1/20 0.52

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
SCHEMBL624098 1.00 MEN1 (0.55) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL8183133 0.84 MEN1 (0.62) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL462449 0.84 MEN1 (0.62) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL13567557 0.84 MEN1 (0.62) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5139092 0.81 MEN1 (0.59) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5139091 0.81 MEN1 (0.59) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL5139089 0.81 MEN1 (0.59) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL22971852 0.73 XDH (0.75) MEN1KMT2AMAPTPOLBALDH1A1
SCHEMBL622912 0.73 PIM1 (0.72) MEN1KMT2APOLBGSK3AGSK3B
SCHEMBL623104 0.73 CDK2 (0.76) MEN1KMT2APOLBGSK3AGSK3B

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-9255088-B2 Premature-termination-codons readthrough compounds THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-02-09 — — US disclosed
US-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-10-17 — — US disclosed
WO-2012021707-A2 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-16 — — 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-20130274283-A1 PREMATURE-TERMINATION-CODONS READTHROUGH COMPOUNDS UPF1, NUDT21, RNGTT MEN1 3033/4885KMT2A 1956/4885MAPT 4401/4885

“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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