SCHEMBL4860848

SCHEMBL4860848

COc1ccc2c(c1)CCCCN2C(=O)Nc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.61
TP53 P04637 6/20 0.60
LMNA P02545 3/20 0.60
THRB P10828 1/20 0.58
ALDH1A1 P00352 1/20 0.55
MAPK1 P28482 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
NPC1 O15118 1/20 0.54
PKM P14618 1/20 0.54
NFKB1 P19838 1/20 0.54
MAOB P27338 1/20 0.54
RAB9A P51151 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDK1 Q15118 1/20 0.54
PDK2 Q15119 1/20 0.54
PDK3 Q15120 1/20 0.54
PDK4 Q16654 1/20 0.54
POLB P06746 1/20 0.52

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
SCHEMBL4869342 0.94 PDK1 (0.60) MAPTTP53LMNATHRBPDK1
SCHEMBL4871248 0.92 MAPT (0.61) MAPTTP53LMNATHRBALDH1A1
SCHEMBL4870653 0.91 PDK1 (0.61) MAPTTP53LMNATHRBNPC1
SCHEMBL4869626 0.89 MAPT (0.69) MAPTTP53LMNATHRBALDH1A1
SCHEMBL4863029 0.88 TP53 (0.53) MAPTTP53LMNATHRBALDH1A1
SCHEMBL4863814 0.88 PDK1 (0.56) MAPTTP53LMNATHRBALDH1A1
SCHEMBL4862251 0.88 TP53 (0.67) MAPTTP53LMNATHRBNPC1
SCHEMBL4863830 0.87 TP53 (0.66) MAPTTP53LMNATHRBNPC1
SCHEMBL4865966 0.86 TP53 (0.57) MAPTTP53LMNATHRBPOLB
SCHEMBL4869965 0.85 MAPT (0.64) MAPTTP53LMNATHRBALDH1A1

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 MAPT 3398/4885TP53 4170/4885LMNA 2162/4885

“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.