SCHEMBL5990774

SCHEMBL5990774

Nc1ccc(C#CCOC2CCCCO2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.44
RORC P51449 2/20 0.41
GCK P35557 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4C Q9H3R0 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
PTAFR P25105 1/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
DHFR P00374 1/20 0.30
ICAM1 P05362 1/20 0.30
SELE P16581 1/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL5990551 0.88 L3MBTL1 (0.40) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL80213 0.83 GRM5 (0.44) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL22252667 0.77 GRM5 (0.42) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL21058120 0.77 GRM5 (0.42) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL9763296 0.77 GRM5 (0.42) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL6288510 0.77 GRM5 (0.43) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL79337 0.77 GRM5 (0.41) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL81302 0.76 PTAFR (0.41) GRM5RORCGCKMEN1KMT2A
SCHEMBL25230426 0.76 GRM5 (0.46) GRM5RORCGCKL3MBTL1MEN1
SCHEMBL30421816 0.76 GRM5 (0.46) GRM5RORCGCKL3MBTL1MEN1

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-7078438-B2 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2006-07-18 US disclosed
US-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY, LLC 2005-06-23 US disclosed
US-6891066-B2 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters WARNER-LAMBERT COMPANY (US) 2005-05-10 US disclosed
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters REWCASTLE GORDON WILLIAM (NZ) 2004-01-08 US 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-20050137263-A1 N-(4 substituted phenyl)-anthranilic acid hydroxamate esters PAH, EGLN3, PAOX GRM5 1990/4885RORC 1184/4885GCK 505/4885
US-20040006245-A1 N-(4-substituted phenyl)-anthranilic acid hydroxamate esters HCAR2, EGLN3, AADAC GRM5 1632/4885RORC 1103/4885GCK 544/4885

“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.