SCHEMBL6713461

SCHEMBL6713461

O=C(Nc1ccc(Br)cc1-c1nnn[nH]1)c1noc2ccc(S(=O)(=O)Nc3ccccc3)cc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR27 Q9NS67 5/20 0.39
AVPR2 P30518 1/20 0.39
HIF1A Q16665 7/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
BRAF P15056 1/20 0.34
ITGA1 P56199 1/20 0.34
BRD4 O60885 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
SCHEMBL6708030 0.92 ALDH1A1 (0.39) GPR27AVPR2HIF1AMEN1KMT2A
SCHEMBL6710218 0.91 HIF1A (0.43) GPR27AVPR2HIF1AMEN1KMT2A
SCHEMBL6709230 0.88 GPR27 (0.41) GPR27AVPR2HIF1AMEN1KMT2A
SCHEMBL6707828 0.88 SLC10A6 (0.36) GPR27HIF1AMEN1KMT2AALOX12
SCHEMBL6709254 0.87 GPR27 (0.37) GPR27AVPR2HIF1AMEN1KMT2A
SCHEMBL6714102 0.86 GPR27 (0.42) GPR27AVPR2HIF1AMEN1KMT2A
SCHEMBL6710349 0.85 HIF1A (0.38) HIF1AMEN1KMT2ANPSR1RXFP1
SCHEMBL6713596 0.85 RXFP1 (0.37) HIF1AMEN1KMT2ARXFP1MAPT
SCHEMBL6713659 0.84 HIF1A (0.45) HIF1AMEN1KMT2ANPSR1RXFP1
SCHEMBL6713076 0.84 AURKA (0.35) HIF1AMEN1KMT2ANPSR1RXFP1

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 GPR27 1616/4885AVPR2 4048/4885HIF1A 296/4885

“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.