SCHEMBL5464254

SCHEMBL5464254

O=C(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1ccc(CN2C(=O)SC(=Cc3cccc(O)c3O)C2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ NSD2 O96028 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.48
▸ APOBEC3G Q9HC16 1/20 0.48
▸ NLRP3 Q96P20 1/20 0.47
▸ PIM1 P11309 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ PTPN1 P18031 2/20 0.43
▸ ACP1 P24666 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ENPP2 Q13822 3/20 0.41
▸ ALOX5 P09917 1/20 0.41
▸ DDX3X O00571 2/20 0.41
▸ MAPT P10636 1/20 0.40
▸ CFTR P13569 1/20 0.40
▸ AMY1A P0DUB6 1/20 0.40

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
SCHEMBL5464252 1.00 MEN1 (0.48) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5464240 0.87 MEN1 (0.61) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5464235 0.87 MEN1 (0.61) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5460282 0.84 MEN1 (0.60) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5460280 0.84 MEN1 (0.60) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5787551 0.82 NLRP3 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5787549 0.82 NLRP3 (0.64) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5470519 0.82 PTPN1 (0.54) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5470522 0.82 PTPN1 (0.54) MEN1KMT2ANSD2HSP90AA1APOBEC3G
SCHEMBL5468585 0.80 MEN1 (0.59) MEN1KMT2ANSD2HSP90AA1APOBEC3G

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 2892/4885KMT2A 2948/4885NSD2 2930/4885

“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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