SCHEMBL6713754

SCHEMBL6713754

O=C(Nc1cccc2cc(C(=O)Nc3ccc(Cl)cc3-c3nnn[nH]3)[nH]c12)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 5/20 0.43
NHERF1 O14745 4/20 0.42
KCNMA1 Q12791 1/20 0.42
STK33 Q9BYT3 1/20 0.42
AKR1C4 P17516 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
PLCG2 P16885 1/20 0.41
KDM4E B2RXH2 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NSD2 O96028 1/20 0.39
GAA P10253 1/20 0.39
KDR P35968 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL6710125 0.95 SERPINE1 (0.48) SERPINE1NHERF1STK33PLCG2KDM4E
SCHEMBL6713933 0.93 RXFP1 (0.41) KCNMA1STK33AKR1C4AKR1C3AKR1C2
SCHEMBL6708019 0.93 GPR35 (0.44) NHERF1STK33PLCG2GAAKDR
SCHEMBL6711906 0.92 NHERF1 (0.46) NHERF1STK33PLCG2GAA
SCHEMBL6710112 0.91 MAP3K5 (0.45) NHERF1STK33PLCG2KDM4ERXFP1
SCHEMBL6708855 0.90 KDR (0.45) NHERF1STK33PLCG2KDM4ENPSR1
SCHEMBL6708007 0.90 MEN1 (0.41) STK33AKR1C4AKR1C3AKR1C2AKR1C1
SCHEMBL6710319 0.90 CHRNB2 (0.43) SERPINE1NHERF1PLCG2
SCHEMBL6708820 0.90 PARP14 (0.41) NHERF1PLCG2KDM4EL3MBTL1
SCHEMBL6710216 0.89 KCNMA1 (0.46) NHERF1KCNMA1PLCG2GAAKDR

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 SERPINE1 2108/4885NHERF1 1641/4885KCNMA1 2744/4885

“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.