SCHEMBL4548162

SCHEMBL4548162

O=C(Nc1cccc(NC(=O)Nc2cccc(C(F)(F)F)c2)c1)Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.87
MAPT P10636 4/20 0.87
MEN1 O00255 3/20 0.87
HTT P42858 2/20 0.87
RAB9A P51151 1/20 0.87
ALDH1A1 P00352 1/20 0.78
TP53 P04637 2/20 0.70
CA12 O43570 1/20 0.70
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
CA9 Q16790 1/20 0.70
GAA P10253 1/20 0.70
KDR P35968 1/20 0.70
GRIK1 P39086 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.67
LMNA P02545 2/20 0.67
NPSR1 Q6W5P4 1/20 0.67
KDM4E B2RXH2 1/20 0.66
NTRK1 P04629 1/20 0.65
CDK19 Q9BWU1 1/20 0.65

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
SCHEMBL5597699 0.98 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL30101230 0.98 KMT2A (0.90) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17664317 0.96 KMT2A (0.81) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17609423 0.93 MAPT (1.00) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL30069239 0.93 MAPT (1.00) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL10220026 0.90 MTOR (0.80) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17664319 0.90 KMT2A (0.82) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL22024980 0.90 KMT2A (0.77) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL26416486 0.89 MAPT (0.76) KMT2AMAPTMEN1HTTRAB9A
SCHEMBL17122422 0.89 MAPT (0.74) KMT2AMAPTMEN1HTTRAB9A

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 10 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-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-09-28 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
WO-2016049774-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2016-04-07 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

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 KMT2A 761/4885MAPT 1631/4885MEN1 2936/4885
US-20170273922-A1 UREA AND BIS-UREA BASED COMPOUNDS AND ANALOGUES THEREOF USEFUL IN THE TREATMENT OF ANDROGEN RECEPTOR MEDIATED DISEASES OR DISORDERS AR, UTS2R, SHBG KMT2A 2159/4885MAPT 367/4885MEN1 1148/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KMT2A 761/4885MAPT 1631/4885MEN1 2936/4885

“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.