SCHEMBL6358730

SCHEMBL6358730

COc1cc(COc2cccc(C(=O)Nc3ccc(Br)cc3C(=O)O)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C2 P52895 6/20 0.62
AKR1C1 Q04828 6/20 0.62
AKR1C3 P42330 3/20 0.49
AKR1C4 P17516 2/20 0.49
MYC P01106 2/20 0.49
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
MAPT P10636 3/20 0.48
ABCB1 P08183 1/20 0.47
ABCC1 P33527 1/20 0.47
SMPD1 P17405 2/20 0.47
MAX P61244 1/20 0.47
PYGL P06737 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPK1 P28482 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
SCHEMBL6359602 0.91 AKR1C2 (0.55) AKR1C2AKR1C1AKR1C3MYCMEN1
SCHEMBL6349305 0.86 AKR1C2 (0.66) AKR1C2AKR1C1AKR1C3AKR1C4MEN1
SCHEMBL6359133 0.84 AKR1C2 (0.68) AKR1C2AKR1C1AKR1C3AKR1C4MYC
SCHEMBL6357045 0.82 AKR1C2 (0.74) AKR1C2AKR1C1AKR1C3AKR1C4MEN1
SCHEMBL6358657 0.81 AKR1C2 (0.72) AKR1C2AKR1C1AKR1C3AKR1C4MEN1
SCHEMBL6352019 0.81 AKR1C2 (0.78) AKR1C2AKR1C1AKR1C3AKR1C4MEN1
SCHEMBL6353682 0.79 AKR1C2 (0.71) AKR1C2AKR1C1MEN1KMT2AMAPT
SCHEMBL6352473 0.78 AKR1C2 (0.77) AKR1C2AKR1C1AKR1C3AKR1C4MEN1
SCHEMBL6352870 0.78 AKR1C2 (0.70) AKR1C2AKR1C1AKR1C3AKR1C4MEN1
SCHEMBL6358257 0.78 MAOB (0.58) AKR1C2AKR1C1AKR1C3AKR1C4MEN1

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 2615/4885AKR1C3 3288/4885

“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.