SCHEMBL3524345

SCHEMBL3524345

CN(CCc1ccccc1)c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
AOC3 Q16853 1/20 0.44
ROCK1 Q13464 1/20 0.42
FFAR1 O14842 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
PKM P14618 1/20 0.42
GRIN2B Q13224 1/20 0.42
PLA2G4A P47712 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PDPK1 O15530 1/20 0.41
CES1 P23141 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL5451515 0.83 KDM4E (0.50) AOC3PKMGRIN2BSCN1ASCN2A
SCHEMBL3527668 0.76 LMNA (0.61) AOC3SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL4723832 0.75 HTR7 (0.42) SCN1ASCN2ASCN3ASMN1; SMN2L3MBTL1
SCHEMBL1675921 0.75 FFAR1 (0.41) AOC3FFAR1FFAR4PKMPLA2G4A
SCHEMBL2858049 0.74 HTR7 (0.41) SCN1ASCN2ASCN3APPARG
SCHEMBL3022750 0.74 POLB (0.44) SCN1ASCN2ASCN3APPARG
SCHEMBL8229257 0.74 SLC6A7 (0.44) SCN1ASCN2ASCN3ASMN1; SMN2
SCHEMBL4724796 0.73 PPARG (0.40) SCN1ASCN2ASCN3ASMN1; SMN2L3MBTL1
SCHEMBL7518725 0.72 SMN1; SMN2 (0.56) PLA2G4ACES1SMN1; SMN2L3MBTL1
SCHEMBL8244072 0.72 HDAC6 (0.42) FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US claimed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US claimed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 US claimed
US-7737159-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2010-06-15 US disclosed
US-20070142353-A1 ANTIBACTERIAL COMPOUNDS ABBVIE INC. 2007-06-21 US disclosed
US-7196200-B2 Antibacterial compounds ABBOTT LABORATORIES (US) 2007-03-27 US disclosed
US-20050159423-A1 Antibacterial compounds ABBOTT LABORATORIES 2005-07-21 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-20070142353-A1 ANTIBACTERIAL COMPOUNDS MRPL21, FDPS, PGLS TAAR1 4674/4885AOC3 3311/4885ROCK1 3586/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS TAAR1 4674/4885AOC3 3311/4885ROCK1 3586/4885

“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.