SCHEMBL4554306

SCHEMBL4554306

CC(=O)N/N=C\c1ccc(C)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.59
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLB P06746 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 3/20 0.55
PKM P14618 1/20 0.55
GAA P10253 1/20 0.55
TDP1 Q9NUW8 2/20 0.54
CYP1A2 P05177 1/20 0.53
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 2/20 0.51
MIF P14174 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50

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
SCHEMBL14147274 0.85 MIF (0.69) L3MBTL1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL31268475 0.85 MIF (0.69) L3MBTL1RAB9ANPC1SMN1; SMN2LMNA
SCHEMBL28640627 0.83 L3MBTL1 (0.58) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL24000970 0.83 KMT2A (0.71) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL30039239 0.83 MEN1 (0.68) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL13496984 0.82 MEN1 (0.71) RAB9ANPC1SMN1; SMN2POLBLMNA
SCHEMBL459243 0.82 MEN1 (0.71) RAB9ANPC1SMN1; SMN2POLBLMNA
SCHEMBL12323231 0.81 L3MBTL1 (0.79) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL21133253 0.81 L3MBTL1 (0.79) L3MBTL1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL24278430 0.81 L3MBTL1 (0.51) L3MBTL1RAB9ANPC1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2012162025-A1 METHODS OF SELECTING CANCER PATIENTS FOR TREATMENT WITH N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-29 WO 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
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 WO 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 L3MBTL1 462/4885RAB9A 2490/4885NPC1 1310/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT L3MBTL1 462/4885RAB9A 2490/4885NPC1 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.