SCHEMBL4868664

SCHEMBL4868664

O=C(Nc1ccc(O)cc1)N1CCCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
GAA P10253 1/20 0.51
HTR2C P28335 1/20 0.48
MAPT P10636 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL4870767 0.91 ATM (0.59) ATMGAAHTR2CMAPTMEN1
SCHEMBL4870812 0.90 ATM (0.69) ATMGAAHTR2CMAPTMEN1
SCHEMBL4868800 0.86 MAPT (0.52) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL4866900 0.84 ATM (0.52) ATMGAAHTR2CMAPTMEN1
SCHEMBL4870181 0.83 ATM (0.72) ATMGAAMAPTMEN1KMT2A
SCHEMBL2851575 0.81 RAB9A (0.64) ATMHTR2CMAPTMEN1KMT2A
SCHEMBL4863201 0.81 POLB (0.58) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL4867584 0.81 BRD4 (0.52) MAPTMEN1KMT2ARAB9APOLB
SCHEMBL4860494 0.81 MAPT (0.48) HTR2CMAPTMEN1KMT2APOLB
SCHEMBL4863345 0.81 ATM (0.69) ATMGAAHTR2CMAPTMEN1

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 2852/4885GAA 1965/4885HTR2C 323/4885

“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.