SCHEMBL4548097

SCHEMBL4548097

COc1ccc(NC(=O)c2ccccc2NC(=O)Nc2cccc3ccccc23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 1/20 0.65
▸ KMT2A Q03164 7/20 0.63
▸ RAB9A P51151 4/20 0.63
▸ NPC1 O15118 3/20 0.63
▸ MEN1 O00255 5/20 0.62
▸ PKM P14618 1/20 0.62
▸ KDM4E B2RXH2 5/20 0.61
▸ ALDH1A1 P00352 4/20 0.61
▸ HPGD P15428 2/20 0.61
▸ POLB P06746 2/20 0.59
▸ FFAR4 Q5NUL3 1/20 0.59
▸ GPR139 Q6DWJ6 1/20 0.59
▸ AHR P35869 1/20 0.57
▸ CA12 O43570 1/20 0.57
▸ CA1 P00915 1/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CA9 Q16790 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ MT-CO2 P00403 1/20 0.57
▸ TOP1 P11387 1/20 0.57

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
SCHEMBL4548096 0.86 ABCG2 (0.76) ABCG2KMT2ARAB9ANPC1MEN1
SCHEMBL13451640 0.86 MEN1 (0.73) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL11751750 0.82 NPC1 (0.70) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL9968725 0.79 NPC1 (0.68) ABCG2KMT2ARAB9ANPC1MEN1
SCHEMBL29124110 0.78 NPC1 (1.00) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL1462398 0.78 MEN1 (0.77) ABCG2KMT2ARAB9ANPC1MEN1
SCHEMBL10888080 0.77 PLG (0.66) ABCG2KMT2ARAB9ANPC1MEN1
SCHEMBL28676345 0.77 MEN1 (0.72) ABCG2KMT2ARAB9ANPC1MEN1
SCHEMBL21751022 0.76 KDM4E (0.79) KMT2ARAB9ANPC1MEN1KDM4E
SCHEMBL27372805 0.76 KMT2A (0.67) KMT2ARAB9ANPC1MEN1ALDH1A1

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 ABCG2 4858/4885KMT2A 761/4885RAB9A 2490/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT ABCG2 4858/4885KMT2A 761/4885RAB9A 2490/4885

“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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