SCHEMBL4548139

SCHEMBL4548139

O=C(Nc1ccc(F)cc1F)Nc1ccccc1C(=O)NCCN1CCNC1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 1.00
ALDH1A1 P00352 3/20 1.00
LMNA P02545 1/20 0.58
BCL3 P20749 5/20 0.56
KMT2A Q03164 2/20 0.52
POLR1A O95602 1/20 0.49
CREBBP Q92793 1/20 0.48
JAK2 O60674 1/20 0.47
NTRK1 P04629 1/20 0.47
RAB9A P51151 2/20 0.47
PKM P14618 1/20 0.47
KLK7 P49862 1/20 0.45
GPR52 Q9Y2T5 1/20 0.45
NPC1 O15118 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 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
SCHEMBL17554162 0.73 BCL3 (0.80) KDM4EALDH1A1BCL3KMT2AHTT
SCHEMBL30560522 0.73 BCL3 (0.80) KDM4EALDH1A1BCL3KMT2AHTT
SCHEMBL17870595 0.72 BCL3 (1.00) KDM4EALDH1A1BCL3KMT2APKM
SCHEMBL9765181 0.72 KDM4E (0.72) KDM4EALDH1A1LMNAKMT2ARAB9A
SCHEMBL1402380 0.71 RAB9A (0.76) KDM4EALDH1A1LMNAKMT2APOLR1A
SCHEMBL19348436 0.71 BCL3 (0.80) KDM4EALDH1A1BCL3KMT2AHTT
SCHEMBL30560485 0.71 BCL3 (0.80) KDM4EALDH1A1BCL3KMT2AHTT
SCHEMBL9753886 0.69 TSHR (0.66) KDM4EALDH1A1LMNAKMT2ACREBBP
SCHEMBL6277649 0.69 KDM4E (0.65) KDM4EALDH1A1LMNAKMT2APOLR1A
SCHEMBL11706582 0.68 KMT2A (0.65) KDM4EALDH1A1LMNAKMT2ARAB9A

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 KDM4E 1117/4885ALDH1A1 3464/4885LMNA 448/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT KDM4E 1117/4885ALDH1A1 3464/4885LMNA 448/4885

“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.