SCHEMBL5643328

SCHEMBL5643328

O=[N+]([O-])c1cc(C#CCOC2CCCCO2)ccc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CTSV O60911 4/20 0.39
CTSL P07711 4/20 0.39
GRM5 P41594 1/20 0.39
RORC P51449 2/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
ABCB1 P08183 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 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
SCHEMBL5642465 0.81 POLB (0.47) POLBCTSVCTSLMEN1MAPT
SCHEMBL30896128 0.74 GRM5 (0.41) GRM5RORCMEN1KMT2AS1PR5
SCHEMBL27751811 0.72 POLB (0.55) POLBCTSVCTSLMEN1MAPT
SCHEMBL81249 0.72 GRM5 (0.45) GRM5RORCMEN1KMT2A
SCHEMBL7414623 0.71 POLB (0.54) POLBCTSVCTSLMEN1MAPT
SCHEMBL1312228 0.71 POLB (0.45) POLBCTSVCTSLMEN1MAPT
SCHEMBL81302 0.71 PTAFR (0.41) GRM5RORCMEN1MAPTKMT2A
SCHEMBL81084 0.71 GRM5 (0.44) GRM5RORCMEN1KMT2A
SCHEMBL31419836 0.70 HTR2A (0.45) GRM5RORCMEN1KMT2ALMNA
SCHEMBL25230426 0.70 GRM5 (0.46) GRM5RORCMEN1KMT2A

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-7163939-B2 Macrocyclic kinase inhibitors ABBOTT LABORATORIES (US) 2007-01-16 US disclosed
EP-1682555-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2006-07-26 EP disclosed
US-20050215556-A1 Macrocyclic kinase inhibitors ABBVIE INC. 2005-09-29 US disclosed
WO-2005047294-A1 MACROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2005-05-26 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-20050215556-A1 Macrocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K7 POLB 1663/4885CTSV 2832/4885CTSL 2320/4885

“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.