SCHEMBL4548020

SCHEMBL4548020

CN1CCN(C(=O)Cc2ccc(F)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.69
MAPT P10636 2/20 0.68
ME2 P23368 1/20 0.62
ME1 P48163 1/20 0.62
ME3 Q16798 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.61
HTT P42858 1/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
ALDH1A1 P00352 2/20 0.57
HSD11B1 P28845 2/20 0.54
HDAC4 P56524 1/20 0.53
HDAC6 Q9UBN7 1/20 0.53

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
SCHEMBL10195746 0.85 MEN1 (0.69) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL26179616 0.84 POLB (0.71) POLBMAPTME2ME1ME3
SCHEMBL13271682 0.84 SMN1; SMN2 (0.67) ME2ME1ME3SMN1; SMN2HTT
SCHEMBL2376378 0.83 SMN1; SMN2 (0.71) POLBMAPTSMN1; SMN2HTTMEN1
SCHEMBL14261406 0.83 MAPT (0.68) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2747321 0.83 MAPT (0.68) POLBMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15134817 0.83 MAPT (0.68) POLBMAPTME2ME1ME3
SCHEMBL3170967 0.83 SMN1; SMN2 (0.70) POLBMAPTME2ME1ME3
SCHEMBL6707299 0.83 HSD11B1 (0.71) MAPTME2ME1ME3SMN1; SMN2
SCHEMBL18195120 0.83 POLB (0.64) POLBMAPTME2ME1ME3

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 11 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-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 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
WO-2015038778-A1 SUBSTITUTED UREA EIF2α KINASE ACTIVATORS THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2015-03-19 WO 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
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 (3 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 POLB 249/4885MAPT 1631/4885ME2 1183/4885
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators EIF2AK1, EIF2A, EIF4A2 POLB 2687/4885MAPT 1799/4885ME2 1980/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT POLB 249/4885MAPT 1631/4885ME2 1183/4885

“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.