SCHEMBL5468648

SCHEMBL5468648

COc1cc(C=C2SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 10/20 0.85
▸ KMT2A Q03164 10/20 0.85
▸ MAPT P10636 7/20 0.85
▸ ALDH1A1 P00352 6/20 0.85
▸ L3MBTL1 Q9Y468 5/20 0.85
▸ MCL1 Q07820 3/20 0.85
▸ DUSP3 P51452 3/20 0.85
▸ TDP1 Q9NUW8 3/20 0.85
▸ MAPK1 P28482 2/20 0.85
▸ KDM4E B2RXH2 1/20 0.85
▸ DNMT1 P26358 1/20 0.85
▸ LMNA P02545 1/20 0.81
▸ POLB P06746 7/20 0.63
▸ RECQL P46063 1/20 0.63
▸ NPSR1 Q6W5P4 1/20 0.63
▸ APAF1 O14727 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ AGTR1 P30556 1/20 0.61
▸ CACNA1B Q00975 1/20 0.61
▸ APBA1 Q02410 1/20 0.61

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
SCHEMBL5468643 1.00 MEN1 (0.85) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5463912 0.88 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5463917 0.88 MEN1 (0.66) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5477911 0.84 PTPN1 (0.61) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5477915 0.84 PTPN1 (0.61) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5468792 0.83 MEN1 (0.73) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5468794 0.83 MEN1 (0.73) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5468547 0.83 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5468545 0.83 MEN1 (0.59) MEN1KMT2AMAPTALDH1A1L3MBTL1
SCHEMBL5468461 0.82 PTPN1 (0.63) MEN1KMT2AMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — 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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor SERPINE1, SERPINC1, SERPINB1 MEN1 2892/4885KMT2A 2948/4885MAPT 4163/4885

“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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