SCHEMBL6176932

SCHEMBL6176932

Cc1csc(C(=O)Cc2ccc(OCc3ccccc3)cc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.52
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
LTB4R Q15722 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
MAOB P27338 1/20 0.47
LMNA P02545 1/20 0.47
FFAR1 O14842 1/20 0.46
FFAR4 Q5NUL3 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
GBA1 P04062 1/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
THRB P10828 1/20 0.45
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL6178946 0.85 ALOX5 (0.47) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL6178942 0.85 ALOX5 (0.47) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL6491209 0.83 LTA4H (0.48) ALOX5LTB4RLTB4R2MAOBFFAR1
SCHEMBL13200878 0.80 RAB9A (0.63) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL6490606 0.80 ALOX5 (0.54) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL6177200 0.79 PLA2G4A (0.53) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL6179039 0.76 NPC1 (0.76) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL27557957 0.75 GBA1 (0.48) ALOX5MEN1KMT2ANPC1RAB9A
SCHEMBL22005509 0.75 MAPK1 (0.54) KMT2ANPC1RAB9ALMNA
SCHEMBL6176980 0.74 ALOX5 (0.56) ALOX5LTB4RLTB4R2MAOBLMNA

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 ALOX5 1898/4885MEN1 720/4885KMT2A 4749/4885

“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.