SCHEMBL6352804

SCHEMBL6352804

COc1cc(C(=O)Nc2ccc(Br)cc2C(=O)O)c([N+](=O)[O-])cc1OC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 1/20 0.58
AKR1C1 Q04828 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.57
PKM P14618 2/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 2/20 0.55
ABCB1 P08183 1/20 0.54
ABCC1 P33527 1/20 0.54
POLB P06746 2/20 0.51
KDM4E B2RXH2 2/20 0.50
HTT P42858 1/20 0.50
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
NPC1 O15118 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL6353035 0.85 PKM (0.67) AKR1C2AKR1C1PKMLMNAMAPT
SCHEMBL6359133 0.84 AKR1C2 (0.68) AKR1C2AKR1C1PKMLMNAMAPT
SCHEMBL6353682 0.84 AKR1C2 (0.71) AKR1C2AKR1C1LMNAMAPTABCB1
SCHEMBL6357226 0.84 L3MBTL1 (0.54) AKR1C2AKR1C1L3MBTL1PKMLMNA
SCHEMBL6352170 0.83 LCK (0.59) AKR1C2AKR1C1LMNAMAPTPOLB
SCHEMBL6349632 0.77 CHEK1 (0.70) AKR1C2AKR1C1LMNAMAPTPOLB
SCHEMBL375897 0.77 PKM (0.59) L3MBTL1PKMLMNAMAPTPOLB
SCHEMBL31549975 0.77 PKM (0.59) L3MBTL1PKMLMNAMAPTPOLB
SCHEMBL6359602 0.77 AKR1C2 (0.55) AKR1C2AKR1C1PKMLMNAMAPT
SCHEMBL1306361 0.76 AKR1C2 (0.59) AKR1C2AKR1C1LMNAMAPTPOLB

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US claimed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 WO claimed

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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 AKR1C2 3012/4885AKR1C1 2615/4885L3MBTL1 3559/4885

“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.