SCHEMBL6359602

SCHEMBL6359602

COc1cc(COc2ccc(C(=O)Nc3ccc(Br)cc3C(=O)O)cc2)ccc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 4/20 0.55
AKR1C1 Q04828 4/20 0.55
MAPT P10636 7/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
AKR1C3 P42330 1/20 0.50
ABCB1 P08183 1/20 0.49
ABCC1 P33527 1/20 0.49
MYC P01106 3/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 2/20 0.47
MAPK1 P28482 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MAX P61244 2/20 0.47
PLK1 P53350 1/20 0.46
PLK3 Q9H4B4 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45

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
SCHEMBL6358730 0.91 AKR1C2 (0.62) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL6359133 0.87 AKR1C2 (0.68) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL6358257 0.83 MAOB (0.58) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL4211236 0.81 MAPT (0.59) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL6353682 0.81 AKR1C2 (0.71) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL4209179 0.81 AKR1C2 (0.56) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL4213146 0.80 AKR1C2 (0.61) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL6351828 0.78 PTGES (0.62) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL6353035 0.78 PKM (0.67) AKR1C2AKR1C1MAPTKMT2AMEN1
SCHEMBL6349641 0.77 PLK1 (0.60) AKR1C2AKR1C1MAPTKMT2AMEN1

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-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US 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 2615/4885MAPT 4753/4885

“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.