SCHEMBL6593539

SCHEMBL6593539

O=Cc1ccc(C(=O)Nc2nccs2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.68
NPC1 O15118 8/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
LMNA P02545 2/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
RECQL P46063 1/20 0.68
L3MBTL1 Q9Y468 1/20 0.68
SCD O00767 1/20 0.65
AGER Q15109 1/20 0.63
MAPT P10636 2/20 0.62
KDM4E B2RXH2 1/20 0.62
HSD17B10 Q99714 2/20 0.60
POLB P06746 2/20 0.59
ESR2 Q92731 1/20 0.59
ADORA2A P29274 4/20 0.59
CYP2C19 P33261 1/20 0.56
MAPK1 P28482 1/20 0.56
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56

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
SCHEMBL4290771 0.83 NPC1 (0.79) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL3200814 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL28801036 0.81 NPC1 (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL3223685 0.81 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2307971 0.81 RAB9A (0.72) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL4293350 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL13988355 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL13988416 0.81 RAB9A (0.63) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL2628996 0.81 NPC1 (0.76) RAB9ANPC1SMN1; SMN2LMNAMEN1
SCHEMBL995829 0.81 NPC1 (1.00) RAB9ANPC1SMN1; SMN2LMNAMEN1

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-1284267-B1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE SANKYO CO (JP) 2004-12-15 EP disclosed
US-6653330-B2 Such as 4'-chloro-4-(5-(3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1H-1,2,4 -triazol-1-y)butyl)-1,3-dioxan-2-yl)-benzanilide; antifungal activity SANKYO COMPANY, LIMITED (JP) 2003-11-25 US disclosed
US-20030176480-A1 For therapy and prophylaxis of fungal infections SANKYO COMPANY, LIMITED (JP) 2003-09-18 US disclosed
EP-1284267-A1 TRIAZOLE COMPOUNDS HAVING AMIDE LINKAGE Sankyo Company, Limited (JP) 2003-02-19 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-20030176480-A1 For therapy and prophylaxis of fungal infections NAT1, ERG28, DPM1 RAB9A 1988/4885NPC1 361/4885SMN1; SMN2 3704/4885

“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.