SCHEMBL5582737

SCHEMBL5582737

FCC(F)(F)Oc1cccnc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.41
TRIM24 O15164 1/20 0.34
TRIM33 Q9UPN9 1/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 1/20 0.34
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
GRM5 P41594 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
GRM4 Q14833 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
SCHEMBL29907699 0.82 S1PR4 (0.41) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL364512 0.82 S1PR4 (0.41) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL364488 0.82 S1PR4 (0.41) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL364523 0.79 S1PR4 (0.40) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL31651666 0.76 S1PR4 (0.50) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL5582739 0.75 S1PR4 (0.46) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL25352141 0.75 S1PR4 (0.37) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL1400220 0.74 HTR7 (0.38) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL5072839 0.74 S1PR4 (0.45) S1PR4TRIM24TRIM33NPC1RAB9A
SCHEMBL9980697 0.73 S1PR4 (0.55) S1PR4TRIM24TRIM33NPC1RAB9A

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.