SCHEMBL6708928

SCHEMBL6708928

CC(=O)OCC(=O)Nc1ccc2cc(C(=O)Nc3ccc(Br)cc3-c3nnn[nH]3)n(C)c2c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.38
GRM4 Q14833 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR35 Q9HC97 3/20 0.35
HIF1A Q16665 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ROCK1 Q13464 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CDK8 P49336 1/20 0.32
USP30 Q70CQ3 2/20 0.32
MAPT P10636 2/20 0.32
POLB P06746 1/20 0.32
IMPDH2 P12268 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL6711946 0.92 HPGD (0.39) GRM4GPR35HIF1ANPSR1RXFP1
SCHEMBL6708533 0.91 USP2 (0.41) PKMGRM4SMN1; SMN2RXFP1ROCK1
SCHEMBL6709950 0.89 ROCK2 (0.39) PKMGRM4SMN1; SMN2NPSR1ROCK1
SCHEMBL6713231 0.89 GRM4 (0.39) GRM4SMN1; SMN2GPR35HIF1ANPSR1
SCHEMBL6707879 0.88 RXFP1 (0.37) GRM4HIF1ANPSR1RXFP1ROCK1
SCHEMBL6708762 0.85 PKM (0.37) PKMGRM4SMN1; SMN2ROCK1ALDH1A1
SCHEMBL6708004 0.83 RXFP1 (0.41) GRM4SMN1; SMN2RXFP1ROCK1ALDH1A1
SCHEMBL6713418 0.83 RXFP1 (0.36) GRM4SMN1; SMN2GPR35HIF1ANPSR1
SCHEMBL6707636 0.82 GPR35 (0.46) SMN1; SMN2GPR35HIF1ANPSR1RXFP1
SCHEMBL6711912 0.81 EPHX1 (0.40) GRM4RXFP1ALDH1A1

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 PKM 3958/4885GRM4 4668/4885SMN1; SMN2 2635/4885

“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.