SCHEMBL6871504

SCHEMBL6871504

Cc1cccc(C(=O)C(=O)c2ccc3c(c2)CCO3)n1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
PKM P14618 1/20 0.47
PRKCI P41743 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.44
TAS1R1 Q7RTX1 3/20 0.44
PTGER3 P43115 1/20 0.43
CTNNB1 P35222 3/20 0.42
WNT3A P56704 3/20 0.42
PLA2G10 O15496 1/20 0.42
CLK1 P49759 1/20 0.42
GAA P10253 1/20 0.41
MAPK14 Q16539 1/20 0.40
PDE2A O00408 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
TRPM8 Q7Z2W7 1/20 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
SCHEMBL2800434 0.82 MAPT (0.55) RAB9ANPC1PKMCTNNB1WNT3A
SCHEMBL4517760 0.78 CTNNB1 (0.59) RAB9ANPC1PKMPRKCITAS1R3
SCHEMBL6794849 0.78 CTNNB1 (0.48) RAB9ANPC1PKMPRKCITAS1R3
SCHEMBL4511538 0.76 PRKCI (0.51) RAB9ANPC1PKMPRKCITAS1R3
SCHEMBL11237187 0.74 PRKCI (0.60) RAB9ANPC1PRKCITAS1R3TAS1R1
SCHEMBL2237588 0.73 P2RX7 (0.62) RAB9ANPC1MAPTHPGD
SCHEMBL29793780 0.73 PRKCI (0.62) RAB9ANPC1PRKCITAS1R3TAS1R1
SCHEMBL102518 0.73 PRKCI (0.62) RAB9ANPC1PRKCITAS1R3TAS1R1
SCHEMBL11022359 0.72 PRKCI (0.66) RAB9ANPC1PRKCITAS1R3TAS1R1
SCHEMBL2495453 0.72 TAS1R3 (0.53) RAB9ANPC1PRKCITAS1R3TAS1R1

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
US-20040220230-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. 2004-11-04 US disclosed
US-20030166633-A1 Pyridinylimidazoles SMITHKLINE BEECHAM P.L.C. (GB) 2003-09-04 US disclosed
EP-1257543-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM PLC (GB) 2002-11-20 EP disclosed
WO-2001062756-A1 PYRIDINYLIMIDAZOLES SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-30 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 (2 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-20030166633-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 RAB9A 1665/4885NPC1 1966/4885PKM 1260/4885
US-20040220230-A1 Pyridinylimidazoles NR0B1, NR1I2, NR0B2 RAB9A 1614/4885NPC1 1327/4885PKM 1036/4885

“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.