SCHEMBL3529264

SCHEMBL3529264

Cc1ccc(Nc2nccs2)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
PLA2G7 Q13093 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SCN9A Q15858 4/20 0.42
SCN5A Q14524 2/20 0.42
LMNA P02545 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SCN1A P35498 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
SRC P12931 1/20 0.39
SYK P43405 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
SCHEMBL28188740 0.84 SMN1; SMN2 (0.49) ALDH1A1TDP1ADORA2AADORA1PLA2G7
Icodulinum SCHEMBL380085 0.81 NPC1 (0.47) ALDH1A1TDP1PLA2G7SMN1; SMN2NPC1
Icodulinum SCHEMBL2746827 0.80 NPC1 (0.46) ALDH1A1TDP1PLA2G7SMN1; SMN2NPC1
SCHEMBL11588150 0.74 AKR1C3 (0.47) ADORA2AADORA1SCN5ALMNAMEN1
SCHEMBL19998626 0.73 KDM4E (0.45) ALDH1A1MEN1KMT2AKDM4E
SCHEMBL11588086 0.73 PKM (0.45) ALDH1A1ADORA2AADORA1SCN5ALMNA
SCHEMBL5762561 0.73 PLA2G7 (0.58) ALDH1A1PLA2G7SMN1; SMN2NPC1RAB9A
SCHEMBL12121115 0.73 NPC1 (0.62) ALDH1A1ADORA2ASMN1; SMN2NPC1RAB9A
SCHEMBL2066178 0.72 KMT2A (0.52) ALDH1A1TDP1PLA2G7SMN1; SMN2NPC1
SCHEMBL16657376 0.72 ALDH1A1 (0.47) ALDH1A1TDP1PLA2G7SMN1; SMN2NPC1

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 2936/4885TDP1 3345/4885ADORA2A 4407/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS ALDH1A1 2936/4885TDP1 3345/4885ADORA2A 4407/4885

“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.