SCHEMBL4867036

SCHEMBL4867036

O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCc2cc(OCc3ccccc3)ccc21

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.53
PDK2 Q15119 1/20 0.53
PDK3 Q15120 1/20 0.53
PDK4 Q16654 1/20 0.53
ATM Q13315 1/20 0.52
MAPT P10636 5/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
NR3C1 P04150 1/20 0.48
HTR2C P28335 1/20 0.48
MAOB P27338 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PPIA P62937 1/20 0.47
THRB P10828 1/20 0.47
POLB P06746 1/20 0.46

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
SCHEMBL4869342 0.91 PDK1 (0.60) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4870653 0.90 PDK1 (0.61) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4863814 0.87 PDK1 (0.56) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4860848 0.85 MAPT (0.61) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4865371 0.84 MAPT (0.58) ATMMAPTMEN1KMT2ALMNA
SCHEMBL4863345 0.83 ATM (0.69) ATMMAPTMEN1KMT2ALMNA
SCHEMBL4863029 0.83 TP53 (0.53) PDK1PDK2PDK3PDK4MAPT
SCHEMBL4865966 0.83 TP53 (0.57) MAPTLMNATP53THRBPOLB
SCHEMBL4862251 0.82 TP53 (0.67) MAPTLMNATP53MAOBSMN1; SMN2
SCHEMBL4863830 0.81 TP53 (0.66) MAPTLMNATP53MAOBSMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP 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-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 PDK1 2625/4885PDK2 1400/4885PDK3 2325/4885

“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.