SCHEMBL5636859

SCHEMBL5636859

COc1ncccc1N[C]=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.45
APLNR P35414 1/20 0.44
BTK Q06187 1/20 0.40
NAMPT P43490 1/20 0.37
ALDH1A1 P00352 3/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ATR Q13535 1/20 0.36
GRM5 P41594 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
NFE2L2 Q16236 1/20 0.35
GFER P55789 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
LRRK2 Q5S007 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3904232 0.77 SLC22A12 (0.46) SLC22A12APLNRBTKALDH1A1GAA
SCHEMBL13036943 0.76 SLC22A12 (0.44) SLC22A12APLNRBTKALDH1A1GAA
SCHEMBL5266402 0.76 SLC22A12 (0.44) SLC22A12APLNRBTKALDH1A1GAA
SCHEMBL7394738 0.76 P2RX7 (0.41) ALDH1A1MAPTTDP1MEN1KMT2A
SCHEMBL22593335 0.76 SLC22A12 (0.44) SLC22A12APLNRBTKALDH1A1GAA
SCHEMBL5636862 0.75 SLC22A12 (0.45) SLC22A12APLNRBTKALDH1A1GAA
Hydrochloric Acid SCHEMBL21598400 0.74 SLC22A12 (0.43) SLC22A12APLNRBTKALDH1A1GAA
SCHEMBL29757467 0.74 GLO1 (0.57) SLC22A12NAMPTATRNFE2L2NPC1
SCHEMBL1725253 0.74 ALDH1A1 (0.49) SLC22A12NAMPTALDH1A1GAAMAPT
SCHEMBL50243 0.74 MEN1 (0.55) SLC22A12NAMPTALDH1A1GAAMAPT

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-7220856-B2 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2007-05-22 US disclosed
EP-1534681-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-06-01 EP disclosed
US-20040072818-A1 Substituted quinoline CCR5 receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-15 US disclosed
WO-2004002960-A1 SUBSTITUTED QUINOLINE CCR5 RECEPTOR ANTAGONISTS SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-08 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-20040072818-A1 Substituted quinoline CCR5 receptor antagonists CCR5, CXCR3, CCR2 SLC22A12 1229/4885APLNR 870/4885BTK 1525/4885

“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.