SCHEMBL4870181

SCHEMBL4870181

O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCCc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.72
MAPT P10636 4/20 0.63
SMN1; SMN2 Q16637 3/20 0.63
MAPK1 P28482 1/20 0.61
POLB P06746 3/20 0.60
TP53 P04637 3/20 0.59
RAB9A P51151 3/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
NPC1 O15118 2/20 0.59
NFKB1 P19838 2/20 0.59
NFKB2 Q00653 2/20 0.59
RELA Q04206 2/20 0.59
PKM P14618 1/20 0.59
GAA P10253 2/20 0.58
LMNA P02545 2/20 0.58
USP2 O75604 1/20 0.58
ALDH1A1 P00352 1/20 0.58
HTT P42858 1/20 0.58
TDP1 Q9NUW8 1/20 0.58

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
SCHEMBL4863345 0.86 ATM (0.69) ATMMAPTSMN1; SMN2MAPK1POLB
SCHEMBL4870812 0.86 ATM (0.69) ATMMAPTSMN1; SMN2MAPK1POLB
SCHEMBL4867471 0.85 TP53 (0.81) ATMMAPTSMN1; SMN2MAPK1POLB
SCHEMBL4864913 0.84 MEN1 (0.59) ATMMAPTSMN1; SMN2MAPK1POLB
SCHEMBL4863076 0.84 MAPT (0.69) MAPTSMN1; SMN2POLBTP53RAB9A
SCHEMBL4869023 0.83 TP53 (0.78) ATMMAPTSMN1; SMN2MAPK1POLB
SCHEMBL4868320 0.83 ATM (0.66) ATMMAPTSMN1; SMN2MAPK1POLB
SCHEMBL4870767 0.83 ATM (0.59) ATMMAPTPOLBTP53RAB9A
SCHEMBL4868664 0.83 ATM (0.59) ATMMAPTSMN1; SMN2POLBTP53
SCHEMBL4870658 0.83 MAPT (0.67) MAPTSMN1; SMN2POLBTP53RAB9A

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 ATM 2852/4885MAPT 3398/4885SMN1; SMN2 2595/4885

“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.