SCHEMBL3529772

SCHEMBL3529772

Cc1cc(Nc2nccs2)ccc1Br

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.61
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 3/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2C19 P33261 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
ADORA2A P29274 2/20 0.40
PPARG P37231 1/20 0.40
NCOR2 Q9Y618 1/20 0.40
BLM P54132 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 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
SCHEMBL20529581 0.85 PLA2G7 (0.70) PLA2G7NPC1RAB9AMAPTCYP3A4
SCHEMBL851128 0.82 PLA2G7 (0.54) PLA2G7NPC1RAB9AMAPTCYP1A2
SCHEMBL14669893 0.78 PLA2G7 (0.65) PLA2G7NPC1RAB9AMAPTCYP3A4
SCHEMBL3529574 0.78 PLA2G7 (0.65) PLA2G7NPC1RAB9AMAPTCYP1A2
SCHEMBL3038079 0.78 PLA2G7 (0.65) PLA2G7NPC1RAB9ACYP3A4CYP2C19
SCHEMBL14881017 0.76 MEN1 (0.54) PLA2G7NPC1RAB9AMAPTCYP3A4
SCHEMBL5762561 0.76 PLA2G7 (0.58) PLA2G7NPC1RAB9AMAPTCYP3A4
SCHEMBL8906815 0.74 PLA2G7 (0.59) PLA2G7NPC1RAB9AMAPTCYP3A4
SCHEMBL4238370 0.74 PLA2G7 (0.60) PLA2G7NPC1RAB9AMAPTCYP1A2
SCHEMBL16119591 0.73 PLA2G7 (0.54) PLA2G7NPC1RAB9AMAPTCYP1A2

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 2695/4885NPC1 1886/4885RAB9A 1565/4885
US-20050159423-A1 Antibacterial compounds MRPL21, FDPS, PGLS PLA2G7 2695/4885NPC1 1886/4885RAB9A 1565/4885

“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.