SCHEMBL6707828

SCHEMBL6707828

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2ccc(NS(=O)(=O)c3ccc(F)cc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC10A6 Q3KNW5 2/20 0.36
SLC10A2 Q12908 1/20 0.36
SLC10A1 Q14973 1/20 0.36
ALDH1A1 P00352 2/20 0.36
ALOX12 P18054 2/20 0.36
GPR35 Q9HC97 1/20 0.35
GPR27 Q9NS67 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
BRAF P15056 1/20 0.35
MAPT P10636 2/20 0.35
BRD4 O60885 1/20 0.35
HIF1A Q16665 1/20 0.34
HSD17B3 P37058 1/20 0.34
HSD17B2 P37059 1/20 0.34
HSPD1 P10809 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN5 P54829 1/20 0.34
HSPE1 P61604 1/20 0.34

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
SCHEMBL6711755 0.94 ALDH1A1 (0.36) SLC10A6SLC10A2SLC10A1ALDH1A1ALOX12
SCHEMBL6708030 0.92 ALDH1A1 (0.39) SLC10A6SLC10A2SLC10A1ALDH1A1GPR27
SCHEMBL6710201 0.92 TDP1 (0.39) ALDH1A1ALOX12MEN1KMT2ABRAF
SCHEMBL6708095 0.89 MEN1 (0.39) ALDH1A1ALOX12GPR27MEN1KMT2A
SCHEMBL6713461 0.88 GPR27 (0.39) ALOX12GPR27MEN1KMT2ABRAF
SCHEMBL6709880 0.87 TNIK (0.35) ALDH1A1GPR35MEN1KMT2AMAPT
SCHEMBL6713213 0.87 MEN1 (0.39) SLC10A6SLC10A2SLC10A1ALDH1A1ALOX12
SCHEMBL6709254 0.86 GPR27 (0.37) SLC10A6SLC10A2SLC10A1ALDH1A1GPR27
SCHEMBL6709048 0.85 KMT2A (0.38) SLC10A6ALDH1A1ALOX12GPR27MEN1
SCHEMBL6710349 0.84 HIF1A (0.38) ALDH1A1GPR35MEN1KMT2AMAPT

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 SLC10A6 2995/4885SLC10A2 1631/4885SLC10A1 1999/4885

“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.