SCHEMBL4929201

SCHEMBL4929201

Nc1nccc(-c2ccc(C(=O)NC3CCc4ccccc43)s2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
CHRM4 P08173 5/20 0.47
CNR1 P21554 2/20 0.46
CNR2 P34972 2/20 0.46
ADORA2A P29274 1/20 0.45
AKT3 Q9Y243 1/20 0.43
ROCK2 O75116 2/20 0.43
ROCK1 Q13464 2/20 0.43
TAS1R2 Q8TE23 1/20 0.42
P2RX7 Q99572 1/20 0.41
HPGDS O60760 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4919682 0.94 TAS1R3 (0.60) TAS1R3TAS1R1CNR1CNR2ROCK2
SCHEMBL4928246 0.94 TAS1R3 (0.60) TAS1R3TAS1R1CNR1CNR2ROCK2
SCHEMBL14007238 0.86 TAS1R3 (0.54) TAS1R3TAS1R1CHRM4CNR1CNR2
SCHEMBL5000368 0.86 AKT3 (0.54) TAS1R3TAS1R1CHRM4CNR1CNR2
SCHEMBL3819848 0.81 HTT (0.51) TAS1R3TAS1R1CNR1CNR2ADORA2A
SCHEMBL4926576 0.81 AKT3 (0.43) CNR1CNR2AKT3P2RX7KDM4E
SCHEMBL4924428 0.81 AKT3 (0.43) CNR1CNR2AKT3P2RX7KDM4E
SCHEMBL5000133 0.81 TAS1R3 (0.60) TAS1R3TAS1R1CNR1CNR2AKT3
SCHEMBL14007239 0.80 TAS1R3 (0.63) TAS1R3TAS1R1CNR1CNR2TAS1R2
SCHEMBL14007246 0.80 TAS1R3 (0.63) TAS1R3TAS1R1CNR1CNR2TAS1R2

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-20080293716-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 US disclosed
EP-1708697-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-11-28 EP disclosed
EP-1708697-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 EP disclosed
WO-2005074642-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-18 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-20080293716-A1 Chemical Compounds CYP11B2, CYP11B1, REN TAS1R3 3465/4885TAS1R1 3059/4885CHRM4 3268/4885

“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.