SCHEMBL5455080

SCHEMBL5455080

COc1cccc(NC(=O)c2c[c]ccc2O)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.59
NPC1 O15118 7/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
TP53 P04637 2/20 0.59
FADS1 O60427 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
POLB P06746 1/20 0.57
KMT2A Q03164 2/20 0.57
ALDH1A1 P00352 2/20 0.57
NLRP3 Q96P20 1/20 0.57
PKM P14618 1/20 0.57
KDM4E B2RXH2 1/20 0.56
GAA P10253 1/20 0.56
HPGD P15428 1/20 0.53
TRPV1 Q8NER1 1/20 0.52

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
SCHEMBL5464222 0.85 P2RX1 (0.67) RAB9ANPC1ALDH1A1GAAHPGD
SCHEMBL5462863 0.85 RAB9A (0.59) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL5463705 0.83 SRC (0.55) RAB9ANPC1SMN1; SMN2TP53FADS1
SCHEMBL5462330 0.83 PNLIP (0.62) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL5468424 0.82 NPC1 (0.56) RAB9ANPC1SMN1; SMN2TP53POLB
SCHEMBL14363185 0.80 FADS1 (0.67) RAB9ANPC1SMN1; SMN2TP53FADS1
SCHEMBL5468746 0.80 MEN1 (0.54) RAB9ANPC1SMN1; SMN2TP53KMT2A
SCHEMBL5469870 0.79 TMPRSS4 (0.69) KMT2A
SCHEMBL4270372 0.79 FADS1 (0.81) RAB9ANPC1TP53FADS1ALDH1A1
SCHEMBL30771745 0.79 FADS1 (0.81) RAB9ANPC1TP53FADS1ALDH1A1

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 RAB9A 3765/4885NPC1 3368/4885SMN1; 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.