SCHEMBL4863345

SCHEMBL4863345

O=C(Nc1ccccc1)N1CCCCc2cc([N+](=O)[O-])ccc21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.69
HTR2C P28335 1/20 0.66
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
PKM P14618 1/20 0.53
NFKB1 P19838 1/20 0.53
NFKB2 Q00653 1/20 0.53
RELA Q04206 1/20 0.53
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 2/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
LMNA P02545 2/20 0.49
GAA P10253 1/20 0.49
DGAT1 O75907 1/20 0.48
HTT P42858 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL3036883 0.92 HTR2C (0.76) ATMHTR2CNPC1RAB9ATP53
SCHEMBL4870812 0.91 ATM (0.69) ATMHTR2CNPC1RAB9ATP53
SCHEMBL4870767 0.90 ATM (0.59) ATMHTR2CRAB9ATP53KMT2A
SCHEMBL4870181 0.86 ATM (0.72) ATMNPC1RAB9ATP53SMN1; SMN2
SCHEMBL4864913 0.84 MEN1 (0.59) ATMHTR2CNPC1RAB9ATP53
SCHEMBL4867036 0.83 PDK1 (0.53) ATMHTR2CTP53SMN1; SMN2KMT2A
SCHEMBL4865099 0.83 ATM (0.52) ATMHTR2CTP53KMT2AALDH1A1
SCHEMBL4865371 0.83 MAPT (0.58) ATMHTR2CNPC1RAB9ATP53
SCHEMBL2851575 0.82 RAB9A (0.64) ATMHTR2CNPC1RAB9ATP53
SCHEMBL4866075 0.82 TP53 (0.59) ATMHTR2CNPC1RAB9ATP53

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 2852/4885HTR2C 323/4885NPC1 630/4885

“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.