SCHEMBL5859210

SCHEMBL5859210

O=[C]O[CH]c1ccccn1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
KMT2A Q03164 2/20 0.52
ATM Q13315 1/20 0.52
TDP1 Q9NUW8 1/20 0.44
GRM4 Q14833 1/20 0.42
NR4A1 P22736 1/20 0.41
MAOA P21397 1/20 0.40
IKBKB O14920 2/20 0.40
RAF1 P04049 2/20 0.40
RPS6KB1 P23443 2/20 0.40
MAPK1 P28482 2/20 0.40
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
KDR P35968 2/20 0.40
MAPKAPK2 P49137 2/20 0.40
PRKAG1 P54619 2/20 0.40
MAP2K1 Q02750 2/20 0.40
PRKAA1 Q13131 2/20 0.40

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
SCHEMBL303388 0.72
SCHEMBL27379018 0.72
SCHEMBL949395 0.71 MEN1 (0.62) RAB9AMEN1NPC1KMT2AATM
SCHEMBL6253842 0.71 MEN1 (0.62) RAB9AMEN1NPC1KMT2AATM
Bromide SCHEMBL27514624 0.71 RAB9A (0.56) RAB9AMEN1NPC1KMT2AATM
SCHEMBL22685040 0.71 NPC1 (0.50) RAB9AMEN1NPC1KMT2AATM
SCHEMBL16671616 0.71 NPC1 (0.50) RAB9AMEN1NPC1KMT2AATM
SCHEMBL229328 0.70 NPC1 (1.00) RAB9AMEN1NPC1KMT2AATM
SCHEMBL9394256 0.70 NPC1 (1.00) RAB9AMEN1NPC1KMT2AATM
SCHEMBL229329 0.70 NPC1 (1.00) RAB9AMEN1NPC1KMT2AATM

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis JOHNSON THEODORE O JR (US) 2005-05-12 US claimed
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis JOHNSON THEODORE O (US) 2003-12-04 US claimed
EP-1274682-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2003-01-15 EP claimed
EP-1252145-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2002-01-17 US claimed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US claimed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 WO claimed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 WO claimed
US-6989384-B2 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2006-01-24 US disclosed
US-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis JOHNSON THEODORE O JR (US) 2005-05-12 US disclosed
US-20050080121-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2005-04-14 US disclosed
US-6872745-B2 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. (US) 2005-03-29 US disclosed
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis JOHNSON THEODORE O (US) 2003-12-04 US disclosed
EP-1355878-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2003-10-29 EP disclosed
WO-2001096297-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-12-20 WO disclosed
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis AGOURON PHARMACEUTICALS, INC. 2001-11-29 US disclosed
WO-2001079167-A2 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed
WO-2001040189-A1 ANTIPICORNAVIRAL COMPOUNDS AND COMPOSITIONS, THEIR PHARMACEUTICAL USES, AND MATERIALS FOR THEIR SYNTHESIS AGOURON PHARMACEUTICALS, INC. (US) 2001-06-07 WO disclosed
EP-0983228-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2000-03-08 EP disclosed
WO-1998050342-A1 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1998-11-12 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 (5 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-20050080121-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SARNP RAB9A 2493/4885MEN1 3277/4885NPC1 483/4885
US-20010047006-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis RNASE1, SERPINB1, RNASEH1 RAB9A 2911/4885MEN1 3128/4885NPC1 420/4885
US-20050101651-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SARNP RAB9A 2557/4885MEN1 3136/4885NPC1 463/4885
US-20030225042-A1 Antipicornaviral compounds and compositions, their uses, and materials for their synthesis RNASEL, SARNP, RNASEH1 RAB9A 2968/4885MEN1 3239/4885NPC1 533/4885
US-20020006943-A1 Antipicornaviral compounds and compositions, their pharmaceutical uses, and materials for their synthesis PRCP, RNPEP, SERPINB1 RAB9A 2774/4885MEN1 3105/4885NPC1 362/4885

“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.