SCHEMBL5638409

SCHEMBL5638409

COc1ccc(N[C]=O)cc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
HTT P42858 3/20 0.46
RAB9A P51151 2/20 0.46
MAPK1 P28482 1/20 0.46
TUBB1 Q9H4B7 2/20 0.42
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
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 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
SCHEMBL5638868 0.86 GRM4 (0.47) LMNARAB9AMEN1ALDH1A1KMT2A
SCHEMBL1486262 0.83 SMN1; SMN2 (0.50) LMNAHTTRAB9AMEN1ALDH1A1
SCHEMBL29291803 0.79 MAPT (0.40) LMNAHTTRAB9AMAPK1KCNQ3
SCHEMBL4466528 0.79 SMN1; SMN2 (0.51) LMNAHTTRAB9AMEN1ALDH1A1
SCHEMBL5463930 0.78 ABCG2 (0.44) LMNAHTTMAPK1ABCG2ABCB1
SCHEMBL3115364 0.77 TUBB1 (0.47) LMNAHTTRAB9AMAPK1TUBB1
SCHEMBL1187944 0.77 RAPGEF4 (0.46) RAB9AMEN1ALDH1A1KMT2AMAPT
SCHEMBL20149559 0.76 TUBB1 (0.46) LMNAHTTRAB9AMAPK1TUBB1
SCHEMBL6764946 0.76 LMNA (0.50) LMNAHTTRAB9AMAPK1TUBB1
SCHEMBL2324280 0.76 KMT2A (0.46) LMNAHTTRAB9AMEN1ALDH1A1

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 LMNA 4340/4885HTT 4237/4885RAB9A 794/4885

“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.