SCHEMBL4870767

SCHEMBL4870767

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

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
HTR2C P28335 1/20 0.59
GAA P10253 1/20 0.51
MAPT P10636 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
RAB9A P51151 1/20 0.45
TP53 P04637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
NR3C1 P04150 1/20 0.44

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
SCHEMBL4868664 0.91 ATM (0.59) ATMHTR2CGAAMAPTL3MBTL1
SCHEMBL4863345 0.90 ATM (0.69) ATMHTR2CGAAMAPTL3MBTL1
SCHEMBL4870695 0.86 MAPT (0.52) MAPTMEN1KMT2ARAB9ATP53
SCHEMBL4864913 0.86 MEN1 (0.59) ATMHTR2CGAAMAPTL3MBTL1
SCHEMBL4865099 0.84 ATM (0.52) ATMHTR2CGAAMAPTMEN1
SCHEMBL4865371 0.84 MAPT (0.58) ATMHTR2CGAAMAPTL3MBTL1
SCHEMBL4870181 0.83 ATM (0.72) ATMGAAMAPTL3MBTL1MEN1
SCHEMBL4870827 0.81 PDK1 (0.56) MAPTMEN1KMT2ARAB9ATP53
SCHEMBL3036883 0.81 HTR2C (0.76) ATMHTR2CMAPTMEN1KMT2A
SCHEMBL4867152 0.81 TP53 (0.64) HTR2CMAPTMEN1KMT2ARAB9A

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 323/4885GAA 1965/4885

“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.