SCHEMBL4548157

SCHEMBL4548157

CC(C)Oc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.79
MEN1 O00255 4/20 0.79
KMT2A Q03164 4/20 0.79
HTT P42858 3/20 0.79
SMN1; SMN2 Q16637 3/20 0.79
LMNA P02545 2/20 0.79
NPSR1 Q6W5P4 1/20 0.79
RAB9A P51151 1/20 0.66
KDR P35968 10/20 0.65
MAPK14 Q16539 10/20 0.65
TNNI3K Q59H18 10/20 0.65
BRAF P15056 9/20 0.65
CDK8 P49336 2/20 0.61
CDK7 P50613 1/20 0.61
CDK6 Q00534 1/20 0.61
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
ALOX12 P18054 1/20 0.60
CCR6 P51684 1/20 0.60
KDM4E B2RXH2 1/20 0.60

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
SCHEMBL6370472 0.85 MAPT (0.72) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL20568765 0.83 KMT2A (0.72) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4104672 0.83 MEN1 (0.63) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4112747 0.82 EPHX2 (0.64) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL30101230 0.82 KMT2A (0.90) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL5597699 0.82 KMT2A (0.90) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4104472 0.82 MAPT (0.67) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL20568683 0.82 MEN1 (0.74) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4125153 0.82 MAPT (0.67) MAPTMEN1KMT2AHTTSMN1; SMN2
SCHEMBL4112132 0.81 KMT2A (0.62) MAPTMEN1KMT2AHTTSMN1; 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 8 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-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

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 MAPT 1631/4885MEN1 2936/4885KMT2A 761/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MAPT 1631/4885MEN1 2936/4885KMT2A 761/4885

“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.