SCHEMBL5455133

SCHEMBL5455133

O=C(OCc1ccccc1)c1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.59
MEN1 O00255 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
KMT2A Q03164 2/20 0.59
POLB P06746 1/20 0.59
CRHBP P24387 1/20 0.59
CRHR2 Q13324 1/20 0.59
NOD2 Q9HC29 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
ENPP2 Q13822 4/20 0.58
PKM P14618 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PTPN1 P18031 4/20 0.52
ACP1 P24666 4/20 0.52
AKR1B1 P15121 1/20 0.52
PTPN2 P17706 2/20 0.51

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
SCHEMBL5455135 1.00 MAPK1 (0.59) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5469841 0.87 MAPK1 (0.62) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5469842 0.87 MAPK1 (0.62) MAPK1MEN1ALDH1A1MAPTKMT2A
SCHEMBL5464405 0.86 ENPP2 (0.70) ENPP2PTPN1ACP1PTPN2PTPRF
SCHEMBL5464400 0.86 ENPP2 (0.70) ENPP2PTPN1ACP1PTPN2PTPRF
SCHEMBL5460593 0.84 PTPN1 (0.54) MEN1KMT2APOLBENPP2PTPN1
SCHEMBL5460594 0.84 PTPN1 (0.54) MEN1KMT2APOLBENPP2PTPN1
SCHEMBL5465627 0.83 PTPN1 (0.56) MAPK1MEN1MAPTKMT2APOLB
SCHEMBL5465629 0.83 PTPN1 (0.56) MAPK1MEN1MAPTKMT2APOLB
SCHEMBL5461413 0.82 NLRP3 (0.56) MEN1KMT2APOLBENPP2PTPN1

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.