SCHEMBL4548126

SCHEMBL4548126

O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.83
RAB9A P51151 10/20 0.83
KMT2A Q03164 7/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
MEN1 O00255 5/20 0.74
MAPT P10636 5/20 0.74
POLB P06746 2/20 0.74
NFKB1 P19838 1/20 0.74
NFKB2 Q00653 1/20 0.74
RELA Q04206 1/20 0.74
MAOB P27338 1/20 0.69
LMNA P02545 3/20 0.66
MAPK1 P28482 3/20 0.66
TRPV1 Q8NER1 1/20 0.65
CNR1 P21554 1/20 0.64
CYP1A2 P05177 2/20 0.62
CYP2C19 P33261 2/20 0.62
NPSR1 Q6W5P4 1/20 0.62
CA12 O43570 1/20 0.61
CA1 P00915 1/20 0.61

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
SCHEMBL4553841 0.87 NPC1 (0.84) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL6250181 0.86 NPC1 (0.72) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL12692443 0.85 RAB9A (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL4554969 0.84 NPC1 (0.74) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL14499167 0.82 NPC1 (0.70) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL8879732 0.81 MAPT (0.67) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL14350873 0.81 NPC1 (0.73) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL21742185 0.80 CYP1A2 (0.70) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL107421 0.80 RAB9A (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL13675902 0.79 TRPV1 (1.00) NPC1RAB9AKMT2ASMN1; SMN2MEN1

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 12 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-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-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-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-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 US disclosed
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LIMITED (GB) 2012-08-23 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
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 US disclosed
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity PROSIDION LTD. (GB) 2008-10-23 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 (4 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 NPC1 1310/4885RAB9A 2490/4885KMT2A 761/4885
US-20080261952-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R NPC1 148/4885RAB9A 3359/4885KMT2A 1905/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT NPC1 1310/4885RAB9A 2490/4885KMT2A 761/4885
US-20120214808-A1 Aryl Urea Derivatives for Treating Obesity CNR1, GPR119, UTS2R NPC1 148/4885RAB9A 3359/4885KMT2A 1905/4885

“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.