SCHEMBL4867047

SCHEMBL4867047

S=C(Nc1ccccc1)N1CCCCc2ccccc21

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.73
KMT2A Q03164 3/20 0.73
LMNA P02545 1/20 0.73
NPC1 O15118 4/20 0.60
ALDH1A1 P00352 2/20 0.58
GLA P06280 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 2/20 0.58
GAA P10253 1/20 0.57
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.56
TP53 P04637 1/20 0.55
PKM P14618 1/20 0.55
NFKB1 P19838 1/20 0.55
NFKB2 Q00653 1/20 0.55
RELA Q04206 1/20 0.55

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 0.82 TP53 (0.81) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL4871870 0.82 MAPT (0.57) MEN1KMT2ALMNAALDH1A1CYP1A2
SCHEMBL4869023 0.81 TP53 (0.78) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL4869697 0.79 TP53 (0.58) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL5356749 0.76 MAPT (0.73) MEN1KMT2ALMNAALDH1A1MAPT
SCHEMBL11179944 0.76 ALDH1A1 (0.96) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL30456228 0.74 SMN1; SMN2 (0.69) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL4865198 0.74 MAPT (0.70) MEN1KMT2ALMNANPC1MAPT
SCHEMBL1651693 0.74 ALDH1A1 (1.00) MEN1KMT2ALMNANPC1ALDH1A1
SCHEMBL13720129 0.74 SMN1; SMN2 (0.72) MEN1KMT2ALMNANPC1ALDH1A1

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 2577/4885LMNA 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.