SCHEMBL3525964

SCHEMBL3525964

CCCOc1ccc(Nc2nccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.50
ALDH1A1 P00352 4/20 0.50
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
PLA2G7 Q13093 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 1/20 0.45
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
FAAH O00519 1/20 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
SCHEMBL205937 0.90 NPC1 (0.50) PKMALDH1A1LMNANPC1RAB9A
SCHEMBL899315 0.81 SMN1; SMN2 (0.64) PKMALDH1A1MAPTLMNANPC1
SCHEMBL10520475 0.78 MAPT (0.58) ALDH1A1MAPTNPC1RAB9AL3MBTL1
SCHEMBL5762561 0.75 PLA2G7 (0.58) PKMALDH1A1MAPTLMNANPC1
SCHEMBL30041745 0.73 LTA4H (0.50) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4719960 0.73 RAB9A (0.55) ALDH1A1MAPTLMNANPC1RAB9A
SCHEMBL3053636 0.72 SYK (0.54) PKMALDH1A1MAPTLMNANPC1
SCHEMBL14881017 0.72 MEN1 (0.54) PKMALDH1A1MAPTLMNANPC1
SCHEMBL2981886 0.72 ALDH1A1 (0.61) ALDH1A1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL899534 0.72 SMN1; SMN2 (0.61) ALDH1A1MAPTLMNANPC1RAB9A

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 PKM 1929/4885ALDH1A1 2936/4885MAPT 3669/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS PKM 1929/4885ALDH1A1 2936/4885MAPT 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.