SCHEMBL6157022

SCHEMBL6157022

COc1cc(NC2CCOCC2)c(Cl)cc1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.46
KCNH2 Q12809 2/20 0.42
HTR4 Q13639 2/20 0.41
DRD4 P21917 1/20 0.41
ATM Q13315 1/20 0.41
POLB P06746 1/20 0.41
RIPK2 O43353 1/20 0.41
ERN1 O75460 1/20 0.41
STK10 O94804 1/20 0.41
MAP3K6 O95382 1/20 0.41
ABL1 P00519 1/20 0.41
ESR1 P03372 1/20 0.41
RET P07949 1/20 0.41
PDGFRB P09619 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
KIT P10721 1/20 0.41
BCR P11274 1/20 0.41
FGFR1 P11362 1/20 0.41
NQO2 P16083 1/20 0.41
PDGFRA P16234 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
SCHEMBL12316332 0.89 HTT (0.53) LRRK2DRD4POLBHTTGAA
SCHEMBL12316330 0.89 TDP1 (0.43) LRRK2HTR4DRD4POLBHTT
SCHEMBL12316370 0.89 CA1 (0.51) LRRK2HTR4DRD4CA1CA2
SCHEMBL6153477 0.86 ROCK2 (0.52) LRRK2HTR4DRD4RIPK2ERN1
SCHEMBL6153878 0.86 ROCK2 (0.52) LRRK2HTR4DRD4RIPK2ERN1
SCHEMBL6154410 0.86 LRRK2 (0.49) LRRK2HTR4DRD4RIPK2ERN1
SCHEMBL6153479 0.86 ROCK2 (0.52) LRRK2HTR4DRD4RIPK2ERN1
SCHEMBL6154397 0.86 LRRK2 (0.49) LRRK2HTR4DRD4RIPK2ERN1
SCHEMBL6154542 0.85 HTR4 (0.58) LRRK2HTR4DRD4RIPK2ERN1
Hydrochloric Acid SCHEMBL6154062 0.84 HTR4 (0.57) LRRK2HTR4DRD4RIPK2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-8263592-B2 Equilibrative nucleoside transporter ENT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2012-09-11 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2010-11-04 US disclosed
US-20050182040-A1 Benzamide derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2005-08-18 US disclosed
EP-1500643-A1 BENZAMIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2005-01-26 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 (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-20100280025-A1 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS SLC29A1, SLC29A2, SLC43A3 LRRK2 2548/4885KCNH2 2394/4885HTR4 2206/4885
US-20050182040-A1 Benzamide derivatives ROCK1, ROCK2, NHERF1 LRRK2 3177/4885KCNH2 118/4885HTR4 2642/4885

“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.