SCHEMBL4554972

SCHEMBL4554972

O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCCc2ccccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.69
TP53 P04637 4/20 0.62
NPC1 O15118 2/20 0.60
PKM P14618 2/20 0.60
NFKB1 P19838 2/20 0.60
RAB9A P51151 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
MAOB P27338 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.58
THRB P10828 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 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
SCHEMBL4862251 0.97 TP53 (0.67) MAPTTP53NPC1PKMNFKB1
SCHEMBL4863830 0.96 TP53 (0.66) MAPTTP53NPC1PKMNFKB1
SCHEMBL4869342 0.88 PDK1 (0.60) MAPTTP53LMNAPOLBTHRB
SCHEMBL4865966 0.88 TP53 (0.57) MAPTTP53LMNAPOLBTHRB
SCHEMBL4871956 0.85 ALDH1A1 (0.67) MAPTTP53NPC1PKMNFKB1
SCHEMBL4870653 0.84 PDK1 (0.61) MAPTTP53NPC1PKMNFKB1
SCHEMBL4868521 0.84 TP53 (0.63) MAPTTP53LMNATHRB
SCHEMBL4860848 0.84 MAPT (0.61) MAPTTP53NPC1PKMNFKB1
SCHEMBL4863029 0.84 TP53 (0.53) MAPTTP53LMNAPOLBTHRB
SCHEMBL4868920 0.84 TP53 (0.53) MAPTTP53LMNAPOLBTHRB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9932300-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-04-03 US disclosed
US-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2016-11-03 US disclosed
US-9421211-B2 N,N′-diarylurea compounds and N,N′-diarylthiourea compounds as inhibitors of translation initiation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2016-08-23 US disclosed
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-05-10 US 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 (2 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-20160318857-A1 N,N'-Diarylurea Compounds and N,N'-Diarylthiourea Compounds as Inhibitors of Translation Initiation NSUN2, EIF2AK2, RNGTT MAPT 1631/4885TP53 1092/4885NPC1 1310/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPT 1631/4885TP53 1092/4885NPC1 1310/4885

“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.