SCHEMBL4548036

SCHEMBL4548036

COc1cc(NS(C)(=O)=O)nc(OC)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ HTR6 P50406 1/20 0.61
▸ KMT2A Q03164 4/20 0.54
▸ AKT1 P31749 4/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ POLB P06746 3/20 0.48
▸ NPC1 O15118 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ TP53 P04637 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ CYP1A2 P05177 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ALOX12 P18054 1/20 0.46
▸ P2RY1 P47900 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL11259041 0.85 ALDH1A1 (0.63) LMNAALDH1A1CYP3A4HTR6KMT2A
SCHEMBL23559312 0.83 ALDH1A1 (0.58) LMNAALDH1A1CYP3A4HTR6KMT2A
SCHEMBL16578038 0.83 ALDH1A1 (0.58) LMNAALDH1A1CYP3A4HTR6KMT2A
SCHEMBL13064020 0.83 ALDH1A1 (0.43) LMNAALDH1A1CYP3A4HTR6KMT2A
SCHEMBL13063997 0.79 ALDH1A1 (0.41) LMNAALDH1A1CYP3A4HTR6KMT2A
SCHEMBL21753106 0.79 ALDH1A1 (0.76) LMNAALDH1A1CYP3A4HTR6KMT2A
SCHEMBL7824834 0.77 ALDH1A1 (0.78) LMNAALDH1A1CYP3A4HTR6KMT2A
Sulfadimethoxine SCHEMBL93845 0.76 LMNA (1.00) LMNAALDH1A1CYP3A4HTR6KMT2A
SCHEMBL4510343 0.76 ALDH1A1 (0.72) LMNAALDH1A1CYP3A4HTR6KMT2A
Sulfadimethoxine SCHEMBL29363944 0.76 LMNA (1.00) LMNAALDH1A1CYP3A4HTR6KMT2A

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-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
US-7893280-B2 2,4-disubstituted thiazolyl derivatives JANSSEN PHARMACEUTICA NV (BE) 2011-02-22 — — 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 (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 LMNA 448/4885ALDH1A1 3464/4885CYP3A4 4822/4885
US-20160318856-A1 Substituted Urea eIF2alpha Kinase Activators EIF2AK1, EIF2A, EIF4A2 LMNA 3011/4885ALDH1A1 4322/4885CYP3A4 4758/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT LMNA 448/4885ALDH1A1 3464/4885CYP3A4 4822/4885

“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.

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