SCHEMBL5281106

SCHEMBL5281106

CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.62
LMNA P02545 2/20 0.60
CRHBP P24387 1/20 0.58
CRHR2 Q13324 1/20 0.58
FAAH O00519 3/20 0.56
MGLL Q99685 3/20 0.56
POLB P06746 2/20 0.54
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
ALDH1A1 P00352 2/20 0.53
CYP3A4 P08684 1/20 0.53
MAPK1 P28482 1/20 0.53
HIF1A Q16665 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.51
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50

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
SCHEMBL3423087 0.84 CRHBP (0.57) MAPTLMNACRHBPCRHR2FAAH
SCHEMBL21624300 0.84 MAPT (0.61) MAPTLMNACRHBPCRHR2POLB
SCHEMBL6773511 0.83 CRHBP (0.56) MAPTLMNACRHBPCRHR2FAAH
SCHEMBL30936706 0.83 MAPT (0.59) MAPTLMNACRHBPCRHR2POLB
SCHEMBL5281104 0.83 ALDH1A1 (0.53) MAPTLMNACRHBPCRHR2FAAH
SCHEMBL2988478 0.83 ALDH1A1 (0.53) MAPTLMNACRHBPCRHR2FAAH
SCHEMBL1131015 0.83 CRHBP (0.58) MAPTLMNACRHBPCRHR2FAAH
SCHEMBL11107017 0.82 ALDH1A1 (0.68) MAPTLMNACRHBPCRHR2FAAH
SCHEMBL27559500 0.82 CRHBP (0.55) MAPTLMNACRHBPCRHR2FAAH
SCHEMBL27545137 0.81 CRHBP (0.53) MAPTLMNACRHBPCRHR2FAAH

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
WO-2007001335-A2 RAMOPLANIN DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS INC. (US) 2007-01-04 WO disclosed
US-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity VICURON PHARMACEUTICALS INC. (US) 2006-09-21 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-20060211603-A1 Ramoplanin derivatives possessing antibacterial activity CLSPN, LMAN2, RPN2 MAPT 4661/4885LMNA 3704/4885CRHBP 2119/4885

“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.