SCHEMBL3529417

SCHEMBL3529417

Fc1ccccc1N1CCN(c2nccs2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
MAPT P10636 4/20 0.55
HSD17B10 Q99714 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HPGD P15428 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
DRD4 P21917 1/20 0.50
DRD3 P35462 1/20 0.50
SCD O00767 1/20 0.49
SLC6A7 Q99884 1/20 0.48
LMNA P02545 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL3529262 0.83 HSD17B10 (0.49) ALDH1A1MAPTHSD17B10NPC1RAB9A
SCHEMBL14206747 0.81 ADRA2C (0.56) ALDH1A1SMN1; SMN2HSD17B10NPC1RAB9A
SCHEMBL29102030 0.79
SCHEMBL3016546 0.77 RAB9A (0.65) ALDH1A1MAPTHSD17B10NPC1RAB9A
SCHEMBL12526642 0.76 AOC3 (0.43) ALDH1A1HSD17B10NPC1RAB9ADRD4
SCHEMBL14206746 0.76 HTT (0.52) ALDH1A1SMN1; SMN2MAPTHSD17B10NPC1
Hydrochloric Acid SCHEMBL27752386 0.76 RAB9A (0.63) ALDH1A1MAPTHSD17B10NPC1RAB9A
SCHEMBL29043237 0.75 PKM (0.60) NPC1RAB9ASCDSLC6A7TDP1
SCHEMBL3150916 0.74 DRD2 (0.41) HSD17B10NPC1RAB9ADRD4DRD3
Hydrochloric Acid SCHEMBL27803387 0.73 GAA (0.62) ALDH1A1SMN1; SMN2MAPTHSD17B10NPSR1

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 ALDH1A1 2936/4885SMN1; SMN2 4141/4885MAPT 3669/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS ALDH1A1 2936/4885SMN1; SMN2 4141/4885MAPT 3669/4885

“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.