SCHEMBL6709845

SCHEMBL6709845

CS(=O)(=O)c1ccccc1C(=O)Nc1cccc2cc(C(=O)Nc3ccc(C#N)cc3-c3nnn[nH]3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.39
PLA2G7 Q13093 7/20 0.39
PABPC1 P11940 1/20 0.37
EIF4H Q15056 1/20 0.37
PTGES O14684 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
RXFP1 Q9HBX9 2/20 0.35
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
BCAT2 O15382 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL6711851 0.88 PTGES (0.40) PLA2G7PABPC1EIF4HPTGESNPC1
SCHEMBL6707728 0.88 PABPC1 (0.39) PLA2G7PABPC1EIF4HPTGESNPC1
SCHEMBL6708889 0.88 NR1H4 (0.38) NR1H4PLA2G7NPC1RAB9AKMT2A
SCHEMBL6712030 0.87 CHRNB2 (0.41) NR1H4RXFP1POLBPKMTHRB
SCHEMBL6710380 0.86 MAP3K5 (0.43) NR1H4PLA2G7NPC1RAB9AKMT2A
SCHEMBL6710250 0.86 KMT2A (0.42) NR1H4NPC1RAB9AKMT2ARXFP1
SCHEMBL6708860 0.86 PLA2G7 (0.41) NR1H4PLA2G7PABPC1EIF4HPTGES
SCHEMBL6710254 0.86 NPC1 (0.40) NPC1RAB9A
SCHEMBL6712405 0.84 PLA2G7 (0.35) PLA2G7NPC1RAB9AKMT2ARXFP1
SCHEMBL6707952 0.84 PRSS12 (0.39) NR1H4NPC1RAB9AKMT2ARXFP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040142981-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-07-22 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 (1 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-20040142981-A1 Antibacterial benzoic acid derivatives GABRD, PHB1, GABBR1 NR1H4 1116/4885PLA2G7 3314/4885PABPC1 1798/4885

“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.