SCHEMBL6711904

SCHEMBL6711904

CC(CC(=O)Nc1cccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)[nH]c12)CC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP3K5 Q99683 1/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PTK2B Q14289 3/20 0.34
PTK2 Q05397 1/20 0.34
GPR35 Q9HC97 2/20 0.34
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
TP53 P04637 2/20 0.33
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6710223 0.91 PTK2B (0.37) MAP3K5MAPTMAPK1TDP1PTK2B
SCHEMBL6708559 0.91 MAP3K5 (0.38) MAP3K5MAPTMAPK1TDP1PTK2B
SCHEMBL6710263 0.89 GPR35 (0.36) MAP3K5MAPTMAPK1TDP1PTK2B
SCHEMBL6708998 0.89 MAP3K5 (0.34) MAP3K5MAPTMAPK1TDP1PTK2B
SCHEMBL6710241 0.86 GPR35 (0.43) MAP3K5MAPTMAPK1TDP1GPR35
SCHEMBL6917364 0.86 GPR35 (0.38) MAP3K5MAPTMAPK1TDP1PTK2B
SCHEMBL6709908 0.86 GRIK1 (0.36) MAP3K5MAPTMAPK1TDP1PTK2B
SCHEMBL6712420 0.85 PARP14 (0.38) MAP3K5MAPTMAPK1TDP1GPR35
SCHEMBL6708158 0.85 GPR35 (0.38) MAPTGPR35HIF1ANPSR1RXFP1
SCHEMBL6711411 0.84 GPR35 (0.42) MAP3K5MAPTGPR35HIF1ANPSR1

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 2 patents. 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
WO-2004018461-A2 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO 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 MAP3K5 3051/4885MAPT 4754/4885MAPK1 2728/4885

“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.