SCHEMBL6713076

SCHEMBL6713076

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2ccc(NS(=O)(=O)Cc3ccccc3)cc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN5 P54829 1/20 0.35
HDAC1 Q13547 1/20 0.35
HIF1A Q16665 7/20 0.35
BRAF P15056 1/20 0.35
BRD4 O60885 1/20 0.35
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SGK1 O00141 1/20 0.33
GPR35 Q9HC97 2/20 0.33
ROCK1 Q13464 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CYP19A1 P11511 1/20 0.33
HPGD P15428 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
SCHEMBL6710115 0.94 HDAC1 (0.35) AURKAAURKBPTPN2PTPN1PTPN5
SCHEMBL6710314 0.92 HIF1A (0.41) AURKAAURKBPTPN2PTPN1PTPN5
SCHEMBL6708665 0.90 IMPDH2 (0.35) AURKAAURKBPTPN2PTPN1PTPN5
SCHEMBL6708030 0.88 ALDH1A1 (0.39) HIF1ANPSR1RXFP1MEN1KMT2A
SCHEMBL6709830 0.87 BRD4 (0.39) AURKAAURKBPTPN2PTPN1PTPN5
SCHEMBL6707620 0.87 AURKA (0.39) AURKAAURKBHIF1AMEN1KMT2A
SCHEMBL6709880 0.86 TNIK (0.35) HIF1ANPSR1RXFP1GPR35ROCK1
SCHEMBL6707823 0.85 HIF1A (0.41) AURKAAURKBPTPN2PTPN1PTPN5
SCHEMBL6919439 0.85 LMNA (0.38) AURKAAURKBHIF1AMEN1KMT2A
SCHEMBL6710273 0.85 HIF1A (0.44) HIF1ANPSR1RXFP1GPR35ROCK1

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 AURKA 3954/4885AURKB 3449/4885PTPN2 3768/4885

“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.