SCHEMBL4891309

SCHEMBL4891309

O=C(Nc1ccc2c(c1)OCO2)N1CCCCc2ccccc21

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.93
KMT2A Q03164 4/20 0.93
HTT P42858 1/20 0.93
ALDH1A1 P00352 5/20 0.71
MAPT P10636 4/20 0.71
TP53 P04637 4/20 0.71
KDM4E B2RXH2 1/20 0.71
ALOX15 P16050 1/20 0.71
HSD17B10 Q99714 1/20 0.71
SMN1; SMN2 Q16637 3/20 0.62
LMNA P02545 3/20 0.61
USP2 O75604 1/20 0.61
TSHR P16473 1/20 0.61
POLB P06746 2/20 0.59
MAPK1 P28482 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
PKM P14618 2/20 0.56
NFKB1 P19838 2/20 0.56

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
SCHEMBL4867471 0.81 TP53 (0.81) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4869990 0.81 TP53 (0.69) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4863076 0.80 MAPT (0.69) MEN1KMT2AHTTMAPTTP53
SCHEMBL4869023 0.80 TP53 (0.78) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4869798 0.80 LMNA (0.69) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4870684 0.79 MAPT (0.67) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL4871151 0.79 MAPT (0.67) MEN1KMT2AHTTMAPTTP53
SCHEMBL4869602 0.79 MAPT (0.71) MEN1KMT2AMAPTTP53SMN1; SMN2
SCHEMBL4869800 0.79 MAPT (0.67) MEN1KMT2AHTTMAPTTP53
SCHEMBL4870658 0.79 MAPT (0.67) MEN1KMT2AHTTMAPTTP53

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 MEN1 651/4885KMT2A 2577/4885HTT 1920/4885

“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.