SCHEMBL5463917

SCHEMBL5463917

COc1ccc(C=C2SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.66
▸ ALDH1A1 P00352 4/20 0.66
▸ KMT2A Q03164 4/20 0.66
▸ MAPT P10636 3/20 0.66
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ MCL1 Q07820 2/20 0.66
▸ MAPK1 P28482 2/20 0.66
▸ TDP1 Q9NUW8 2/20 0.66
▸ KDM4E B2RXH2 1/20 0.66
▸ DNMT1 P26358 1/20 0.66
▸ DUSP3 P51452 1/20 0.66
▸ HPGD P15428 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ ENPP2 Q13822 5/20 0.57
▸ POLB P06746 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ NOD2 Q9HC29 1/20 0.57
▸ PTPN1 P18031 1/20 0.53
▸ ACP1 P24666 1/20 0.53

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
SCHEMBL5463912 1.00 MEN1 (0.66) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5468648 0.88 MEN1 (0.85) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5468643 0.88 MEN1 (0.85) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5468461 0.86 PTPN1 (0.63) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5468456 0.86 PTPN1 (0.63) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5468794 0.86 MEN1 (0.73) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5468792 0.86 MEN1 (0.73) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5474318 0.85 ENPP2 (0.60) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5474321 0.85 ENPP2 (0.60) MEN1ALDH1A1KMT2AMAPTL3MBTL1
SCHEMBL5465473 0.85 ENPP2 (0.58) MEN1ALDH1A1KMT2AMAPTL3MBTL1

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-20070276011-A1 Plasminogen Activator Inhibitor-1 Inhibitor INSTITUTE OF MEDICINAL MOLECULAR DESIGN. INC. (JP) 2007-11-29 — — US disclosed
EP-1666469-A1 PLASMINOGEN ACTIVATOR INHIBITOR-1 INHIBITOR Institute of Medicinal Molecular Design, Inc. (JP) 2006-06-07 — — EP 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 2892/4885ALDH1A1 1861/4885KMT2A 2948/4885

“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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