SCHEMBL6710068

SCHEMBL6710068

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

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAP3K5 Q99683 1/20 0.38
POLB P06746 2/20 0.36
TP53 P04637 2/20 0.36
LMNA P02545 1/20 0.36
GPR35 Q9HC97 3/20 0.36
HIF1A Q16665 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
PTK2B Q14289 2/20 0.35
PTK2 Q05397 1/20 0.35
NSD2 O96028 1/20 0.33

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
SCHEMBL6708751 0.93 MAPT (0.39) MAPTMAPK1TDP1MAP3K5POLB
SCHEMBL6708643 0.90 MAPT (0.41) MAPTMAPK1TDP1MAP3K5POLB
SCHEMBL6713918 0.89 KCNQ2 (0.41) MAPTMAPK1TDP1POLBTP53
SCHEMBL6707718 0.88 L3MBTL1 (0.37) MAPTMAPK1TDP1MAP3K5POLB
SCHEMBL6710241 0.88 GPR35 (0.43) MAPTMAPK1TDP1MAP3K5POLB
SCHEMBL6709837 0.88 MAPT (0.39) MAPTMAPK1TDP1MAP3K5POLB
SCHEMBL6708559 0.88 MAP3K5 (0.38) MAPTMAPK1TDP1MAP3K5POLB
SCHEMBL6707953 0.87 MAP3K5 (0.45) MAPTMAPK1TDP1MAP3K5POLB
SCHEMBL6713465 0.87 GPR35 (0.43) TDP1GPR35HIF1ANPSR1RXFP1
SCHEMBL6712420 0.87 PARP14 (0.38) MAPTMAPK1TDP1MAP3K5POLB

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 MAPT 4754/4885MAPK1 2728/4885TDP1 2977/4885

“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.