SCHEMBL5469842

SCHEMBL5469842

O=C(O)c1cc(C=C2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.62
MEN1 O00255 2/20 0.62
ALDH1A1 P00352 2/20 0.62
MAPT P10636 2/20 0.62
KMT2A Q03164 2/20 0.62
POLB P06746 1/20 0.62
CRHBP P24387 1/20 0.62
CRHR2 Q13324 1/20 0.62
NOD2 Q9HC29 1/20 0.62
TDP1 Q9NUW8 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
ENPP2 Q13822 2/20 0.61
AKR1B1 P15121 2/20 0.60
PKM P14618 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
PTPN1 P18031 5/20 0.58
ACP1 P24666 5/20 0.58
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
AMY1A P0DUB6 1/20 0.54

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
SCHEMBL5469841 1.00 MAPK1 (0.62) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5468379 0.89 MEN1 (0.67) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5468375 0.89 MEN1 (0.67) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5455135 0.87 MAPK1 (0.59) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5455133 0.87 MAPK1 (0.59) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5462991 0.85 PTPN1 (0.65) MEN1KMT2APOLBENPP2AKR1B1
SCHEMBL5462986 0.85 PTPN1 (0.65) MEN1KMT2APOLBENPP2AKR1B1
SCHEMBL5460435 0.84 PTPN1 (0.60) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5460437 0.84 PTPN1 (0.60) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5463880 0.84 PTPN1 (0.60) MAPK1MEN1ALDH1A1MAPTKMT2A

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 MAPK1 256/4885MEN1 2892/4885ALDH1A1 1861/4885

“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.