SCHEMBL2680413

SCHEMBL2680413

CN(C)c1ccc(NC(=O)c2ccccc2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.69
NPC1 O15118 5/20 0.69
RAB9A P51151 5/20 0.69
TP53 P04637 4/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
HTT P42858 3/20 0.69
HSD17B10 Q99714 2/20 0.69
NFKB1 P19838 1/20 0.69
NFKB2 Q00653 1/20 0.69
RELA Q04206 1/20 0.69
MEN1 O00255 6/20 0.67
KMT2A Q03164 6/20 0.67
KDM4E B2RXH2 4/20 0.67
HPGD P15428 1/20 0.67
GAA P10253 2/20 0.64
POLB P06746 2/20 0.64
MAPT P10636 4/20 0.59
PNLIP P16233 3/20 0.59
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 2/20 0.58

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
SCHEMBL18327174 0.86 LMNA (0.89) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL29168835 0.83 KMT2A (0.68) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL8777899 0.83 PTGS1 (0.60) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL1499506 0.83 NPC1 (0.69) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL12519872 0.82 NPC1 (0.72) LMNANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL11723758 0.82 LMNA (0.57) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL5079177 0.81 RAB9A (1.00) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL10521556 0.81 METAP2 (0.69) LMNANPC1RAB9ATP53SMN1; SMN2
SCHEMBL2267515 0.81 KLKB1 (0.65) LMNANPC1RAB9ATP53SMN1; SMN2
Osalmid SCHEMBL220088 0.81 LMNA (1.00) LMNANPC1RAB9ATP53SMN1; SMN2

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 LMNA 448/4885NPC1 1310/4885RAB9A 2490/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT LMNA 448/4885NPC1 1310/4885RAB9A 2490/4885

“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.