SCHEMBL5468828

SCHEMBL5468828

O=C(Nc1ccc2c(c1)OCO2)c1c[c]ccc1O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 14/20 0.57
▸ RAB9A P51151 13/20 0.57
▸ SMN1; SMN2 Q16637 10/20 0.57
▸ MAPT P10636 10/20 0.57
▸ PKM P14618 4/20 0.57
▸ NFKB1 P19838 2/20 0.57
▸ NFKB2 Q00653 2/20 0.57
▸ RELA Q04206 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TP53 P04637 4/20 0.56
▸ HPGD P15428 1/20 0.56
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ POLB P06746 2/20 0.55
▸ HTT P42858 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ AHR P35869 1/20 0.52
▸ ALOX15 P16050 1/20 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
SCHEMBL5474329 0.85 RAB9A (0.57) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL5468300 0.79 SNCA (0.56) NPC1RAB9AMEN1KMT2AALOX15
SCHEMBL14363317 0.78 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL13189702 0.78 NPC1 (0.70) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL5469832 0.76 LMNA (0.60) NPC1RAB9ASMN1; SMN2MAPTNFKB1
SCHEMBL5463888 0.76 PTGS1 (0.56) NPC1RAB9AMAPTPKMMEN1
SCHEMBL5464092 0.75 TOP1 (0.46) TP53HPGDMEN1KMT2AHTT
SCHEMBL14363418 0.74 NPC1 (0.63) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL27179668 0.74 RAB9A (0.90) NPC1RAB9ASMN1; SMN2MAPTPKM
SCHEMBL12700201 0.74 NPC1 (0.75) NPC1RAB9ASMN1; SMN2MAPTPKM

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 NPC1 3368/4885RAB9A 3765/4885SMN1; SMN2 2862/4885

“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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