SCHEMBL4871903

SCHEMBL4871903

COCOc1ccc(NC(=O)N2CCCCc3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.56
MAPT P10636 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
TP53 P04637 4/20 0.52
LMNA P02545 4/20 0.51
THRB P10828 1/20 0.50
POLB P06746 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL4870769 0.88 ATM (0.56) ATMMAPTTP53LMNAPOLB
SCHEMBL4871843 0.85 TP53 (0.62) MAPTALDH1A1MAPK1L3MBTL1TP53
SCHEMBL4870675 0.85 MAPT (0.57) MAPTALDH1A1MAPK1L3MBTL1TP53
SCHEMBL4868320 0.82 ATM (0.66) ATMMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL4872378 0.78 MAPT (0.68) MAPTALDH1A1MAPK1L3MBTL1TP53
SCHEMBL4865099 0.77 ATM (0.52) ATMMAPTALDH1A1TP53LMNA
SCHEMBL4866900 0.77 ATM (0.52) ATMMAPTALDH1A1TP53LMNA
SCHEMBL4870181 0.76 ATM (0.72) ATMMAPTALDH1A1MAPK1L3MBTL1
SCHEMBL4863054 0.75 TP53 (0.65) MAPTALDH1A1MAPK1L3MBTL1TP53
SCHEMBL4867003 0.75 TP53 (0.51) MAPTALDH1A1MAPK1L3MBTL1TP53

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 3398/4885ALDH1A1 3990/4885

“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.