SCHEMBL4548096

SCHEMBL4548096

COc1ccc(NC(=O)c2ccccc2NC(=O)Nc2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 2/20 0.76
▸ MEN1 O00255 6/20 0.73
▸ KMT2A Q03164 6/20 0.73
▸ PKM P14618 3/20 0.73
▸ ALDH1A1 P00352 2/20 0.67
▸ NPC1 O15118 8/20 0.66
▸ RAB9A P51151 8/20 0.66
▸ SMN1; SMN2 Q16637 5/20 0.66
▸ MAPT P10636 1/20 0.66
▸ NFKB1 P19838 1/20 0.64
▸ NFKB2 Q00653 1/20 0.64
▸ RELA Q04206 1/20 0.64
▸ KDM4E B2RXH2 1/20 0.64
▸ HPGD P15428 1/20 0.64
▸ HDAC3 O15379 1/20 0.63
▸ EPHA2 P29317 1/20 0.63
▸ HDAC4 P56524 1/20 0.63
▸ HDAC1 Q13547 1/20 0.63
▸ HDAC7 Q8WUI4 1/20 0.63
▸ HDAC2 Q92769 1/20 0.63

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
SCHEMBL1462398 0.89 MEN1 (0.77) ABCG2MEN1KMT2APKMALDH1A1
SCHEMBL28676345 0.87 MEN1 (0.72) ABCG2MEN1KMT2AALDH1A1NPC1
SCHEMBL4548097 0.86 ABCG2 (0.65) ABCG2MEN1KMT2APKMALDH1A1
SCHEMBL11106394 0.85 RAB9A (0.85) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL9968725 0.84 NPC1 (0.68) ABCG2MEN1KMT2APKMALDH1A1
SCHEMBL6823242 0.83 GRIK1 (0.75) ABCG2MEN1KMT2APKMALDH1A1
SCHEMBL19500980 0.82 RAB9A (0.82) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL12010917 0.82 RAB9A (0.82) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL19500918 0.82 F10 (0.77) MEN1KMT2APKMALDH1A1NPC1
SCHEMBL12189549 0.81 NPC1 (0.72) MEN1KMT2AALDH1A1NPC1RAB9A

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 4858/4885MEN1 2936/4885KMT2A 761/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT ABCG2 4858/4885MEN1 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.

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