SCHEMBL5638416

SCHEMBL5638416

COc1ccc(NC=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 4/20 0.46
LMNA P02545 3/20 0.46
HTT P42858 2/20 0.46
MAPK1 P28482 1/20 0.46
RAB9A P51151 1/20 0.46
ERN1 O75460 1/20 0.43
ABCG2 Q9UNQ0 2/20 0.41
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
ABCB1 P08183 1/20 0.41
ABCC1 P33527 1/20 0.41
MAP2K1 Q02750 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 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
SCHEMBL5638873 0.86 GRM4 (0.47) LMNARAB9AMEN1ALDH1A1KMT2A
SCHEMBL1486263 0.83 GAA (0.54) LMNAHTTRAB9AMEN1ALDH1A1
SCHEMBL23017388 0.79 EPHX2 (0.62) GAANAMPT
SCHEMBL4466531 0.79 SMN1; SMN2 (0.55) LMNAHTTRAB9AMEN1ALDH1A1
SCHEMBL11758126 0.79 ALDH1A1 (0.48) TUBB1LMNAHTTRAB9AMEN1
SCHEMBL5463933 0.78 ABCG2 (0.44) LMNAHTTMAPK1RAB9AABCG2
SCHEMBL29822421 0.78 FGFR2 (0.67)
SCHEMBL23617110 0.78 FGFR2 (0.67)
SCHEMBL3846169 0.78 LMNA (0.50) TUBB1LMNAHTTMAPK1RAB9A
SCHEMBL23033391 0.77 APP (0.49) LMNAHTTMAPK1RAB9AMEN1

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 TUBB1 2987/4885LMNA 4340/4885HTT 4237/4885

“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.