SCHEMBL5281104

SCHEMBL5281104

[CH2]N(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
CYP1A2 P05177 3/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPK1 P28482 2/20 0.53
HIF1A Q16665 2/20 0.53
CYP3A4 P08684 1/20 0.53
FAAH O00519 3/20 0.52
MGLL Q99685 3/20 0.52
HSP90AA1 P07900 1/20 0.50
TLR9 Q9NR96 1/20 0.50
LMNA P02545 2/20 0.49
CRHBP P24387 2/20 0.47
CRHR2 Q13324 2/20 0.47
MAPT P10636 1/20 0.44
CYP19A1 P11511 1/20 0.43
CES2 O00748 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL2988478 0.83 ALDH1A1 (0.53) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5281106 0.83 MAPT (0.62) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL27410200 0.81 CYP1A2 (0.51) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL9313579 0.79 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10882419 0.75 MGLL (0.56) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2308066 0.74 ALDH1A1 (0.61) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL15677251 0.73 MEN1 (0.74) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5954207 0.73 ALDH1A1 (0.50) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL7912447 0.72 MGLL (0.52) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL28468319 0.72 KMT2A (0.55) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19

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 ALDH1A1 2972/4885CYP1A2 4174/4885CYP2D6 3118/4885

“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.