SCHEMBL5582741

SCHEMBL5582741

FC(F)C(F)Oc1cccnc1Br

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.40
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 1/20 0.33
TRPV4 Q9HBA0 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.31
AXL P30530 1/20 0.31

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
SCHEMBL68709 0.85 S1PR4 (0.41) S1PR4TRIM24TRIM33SMN1; SMN2NPC1
SCHEMBL30020489 0.85 S1PR4 (0.41) S1PR4TRIM24TRIM33SMN1; SMN2NPC1
SCHEMBL366056 0.82 S1PR4 (0.41) S1PR4TRIM24TRIM33SMN1; SMN2NPC1
SCHEMBL29015868 0.78 MET (0.47) SMN1; SMN2NPC1RAB9AHTTTRPV4
SCHEMBL2861434 0.77 MEN1 (0.46) S1PR4TRIM24TRIM33SMN1; SMN2LMNA
SCHEMBL29099962 0.74 TRPV4 (0.39) SMN1; SMN2NPC1RAB9ATRPV4LMNA
SCHEMBL25791866 0.74 S1PR4 (0.46) S1PR4TRIM24TRIM33SMN1; SMN2NPC1
SCHEMBL28976400 0.73 KDM4E (0.47) SMN1; SMN2HTTLMNAKDM4E
SCHEMBL10600901 0.73 KMT2A (0.35) SMN1; SMN2HTT
SCHEMBL1400223 0.72 HTR1A (0.39) SMN1; SMN2NPC1RAB9AHTTLMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2007-02-01 US disclosed
EP-1664018-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-06-07 EP disclosed
WO-2005021529-A1 BIPYRIDYL AMINES AND ETHERS AS MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2005-03-10 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-20070027321-A1 Bipyridyl amines and ethers as modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRM1 S1PR4 1629/4885TRIM24 3629/4885TRIM33 3820/4885

“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.