SCHEMBL6178029

SCHEMBL6178029

O=C(O)/C=C(/Cc1ccc(OCc2ccccc2)cc1)c1nc2ccccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
GLO1 Q04760 7/20 0.52
ALOX5 P09917 2/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
EPHX2 P34913 1/20 0.47
MAPT P10636 3/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 1/20 0.46
GALK1 P51570 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL6178043 1.00 NPC1 (0.54) NPC1RAB9ASMN1; SMN2HPGDGLO1
SCHEMBL6179039 0.85 NPC1 (0.76) NPC1RAB9ASMN1; SMN2HPGDGLO1
SCHEMBL6490658 0.80 ALOX5 (0.49) NPC1RAB9AALOX5MEN1KMT2A
SCHEMBL6502665 0.80 ALOX5 (0.49) NPC1RAB9AALOX5MEN1KMT2A
SCHEMBL1304054 0.79 PDE10A (0.57) NPC1RAB9ASMN1; SMN2HPGDALOX5
SCHEMBL6176969 0.79 ALOX5 (0.47) NPC1RAB9AALOX5PPARGPPARA
SCHEMBL6176965 0.79 ALOX5 (0.47) NPC1RAB9AALOX5PPARGPPARA
SCHEMBL6178942 0.78 ALOX5 (0.47) NPC1RAB9AALOX5MEN1LMNA
SCHEMBL6178946 0.78 ALOX5 (0.47) NPC1RAB9AALOX5MEN1LMNA
SCHEMBL6489689 0.76 LTA4H (0.44) ALOX5PPARGPPARAEPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1061921-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-03-30 EP disclosed
US-20020147334-A1 Vitronectin Receptor Antagonists SMITHKLINE BEECHAM CORPORATION 2002-10-10 US disclosed
EP-1061921-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-12-27 EP disclosed
WO-1999045927-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-09-16 WO 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-20020147334-A1 Vitronectin Receptor Antagonists ADGRF1, FN1, CALCR NPC1 1297/4885RAB9A 2387/4885SMN1; SMN2 2566/4885

“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.