SCHEMBL6713262

SCHEMBL6713262

CCC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3noc(=O)[nH]3)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.41
POLB P06746 4/20 0.41
MAPT P10636 3/20 0.41
GPR35 Q9HC97 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NSD2 O96028 1/20 0.37
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
PARP14 Q460N5 1/20 0.35
ALOX15 P16050 1/20 0.35
PLA2G7 Q13093 1/20 0.35

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
SCHEMBL6711957 0.93 GRIK1 (0.40) GRIK1POLBMAPTLMNATP53
SCHEMBL6710002 0.92 MEN1 (0.41) GRIK1POLBMAPTLMNATP53
SCHEMBL6714095 0.92 HDAC3 (0.41) GRIK1POLBMAPTLMNATP53
SCHEMBL6713519 0.91 GRIK1 (0.41) GRIK1POLBMAPTGPR35LMNA
SCHEMBL6712479 0.91 HDAC3 (0.42) GRIK1POLBMAPTLMNATP53
SCHEMBL6710198 0.91 POLB (0.41) GRIK1POLBMAPTLMNATP53
SCHEMBL6709836 0.91 HDAC3 (0.42) GRIK1POLBMAPTLMNATP53
SCHEMBL6707860 0.91 GRIK1 (0.39) GRIK1POLBMAPTGPR35LMNA
SCHEMBL6710057 0.91 GRIK1 (0.39) GRIK1POLBMAPTLMNATP53
SCHEMBL6707738 0.91 GRIK1 (0.39) GRIK1POLBMAPTLMNATP53

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 GRIK1 3885/4885POLB 626/4885MAPT 4754/4885

“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.