SCHEMBL3529574

SCHEMBL3529574

Cc1ccc(Nc2nccs2)cc1F

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.65
DHODH Q02127 4/20 0.44
SCN1A P35498 1/20 0.44
SCN5A Q14524 1/20 0.44
SCN8A Q9UQD0 1/20 0.44
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
AGTR1 P30556 1/20 0.42
HTT P42858 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TSHR P16473 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL20529581 0.85 PLA2G7 (0.70) PLA2G7DHODHNPC1RAB9ASMN1; SMN2
SCHEMBL3038079 0.81 PLA2G7 (0.65) PLA2G7NPC1RAB9AMEN1KMT2A
SCHEMBL14669893 0.81 PLA2G7 (0.65) PLA2G7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL29740133 0.80 GRM4 (0.51) PLA2G7SCN1ASCN5ASCN8AALDH1A1
SCHEMBL27700307 0.78 EGFR (0.56) PLA2G7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3529772 0.78 PLA2G7 (0.61) PLA2G7NPC1RAB9AALDH1A1GAA
SCHEMBL2981886 0.76 ALDH1A1 (0.61) PLA2G7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5762561 0.76 PLA2G7 (0.58) PLA2G7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14662468 0.76 PLA2G7 (0.58) PLA2G7NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4601453 0.75 PLA2G7 (0.47) PLA2G7SCN1ASCN5ASCN8ANPC1

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 PLA2G7 2695/4885DHODH 306/4885SCN1A 2873/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS PLA2G7 2695/4885DHODH 306/4885SCN1A 2873/4885

“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.