SCHEMBL4741886

SCHEMBL4741886

COc1ccc2cc(N)c(-c3ccsc3)nc2c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.60
PDGFRA P16234 4/20 0.60
GPBAR1 Q8TDU6 8/20 0.60
NPC1 O15118 1/20 0.51
MAOB P27338 2/20 0.44
MAOA P21397 1/20 0.44
NCF1 P14598 1/20 0.43
BACE1 P56817 1/20 0.43
GAA P10253 1/20 0.41
FGFR1 P11362 1/20 0.40
RAD51 Q06609 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
SCHEMBL4741474 0.83 GPBAR1 (0.69) PDGFRBPDGFRAGPBAR1NPC1MAOB
SCHEMBL4740926 0.81 GPBAR1 (0.59) PDGFRBPDGFRAGPBAR1NPC1MAOB
SCHEMBL17942774 0.80 KDM4E (0.55) GPBAR1NPC1NCF1RAD51
SCHEMBL4740452 0.80 GPBAR1 (0.56) PDGFRBPDGFRAGPBAR1NPC1MAOB
SCHEMBL4743289 0.79 GPBAR1 (0.66) PDGFRBPDGFRAGPBAR1NPC1MAOB
SCHEMBL4741387 0.79 GPBAR1 (0.57) PDGFRBPDGFRAGPBAR1NPC1MAOB
SCHEMBL4880446 0.75 GPBAR1 (1.00) PDGFRBPDGFRAGPBAR1
SCHEMBL8500071 0.75 PDGFRB (1.00) PDGFRBPDGFRAGPBAR1NPC1
SCHEMBL31060313 0.75 PDGFRB (1.00) PDGFRBPDGFRAGPBAR1NPC1
SCHEMBL4871712 0.74 GPBAR1 (0.76) PDGFRBPDGFRAGPBAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-09-11 US disclosed
WO-2008097976-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE KALYPSYS, INC. (US) 2008-08-14 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-20080221161-A1 HETEROCYCLIC MODULATORS OF TGR5 FOR TREATMENT OF DISEASE GPR119, GPBAR1, LDLR PDGFRB 1505/4885PDGFRA 1411/4885GPBAR1 2/4885

“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.