SCHEMBL4548216

SCHEMBL4548216

Cc1cc(C2(c3ccccc3)C(=O)Nc3ccccc32)c(NC(=O)Nc2ccccc2)cc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MAPT P10636 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.52
XBP1 P17861 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
CXCR2 P25025 3/20 0.44
CHRM2 P08172 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
KCNH2 Q12809 1/20 0.43
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CXCR1 P25024 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL4548214 0.90 MAPT (0.50) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL4555041 0.89 KMT2A (0.45) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL4548215 0.86 KMT2A (0.43) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL4548213 0.85 TRPV1 (0.50) CA1CA2CA9
SCHEMBL2715943 0.71 LMNA (0.74) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL10894900 0.69 MAPT (1.00) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL29403916 0.69 MAPT (1.00) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL29414086 0.69 MAPT (1.00) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL234892 0.69 MAPT (1.00) KMT2AMAPTMEN1LMNAXBP1
SCHEMBL15619242 0.68 CHRM2 (0.66) KMT2AMAPTMEN1LMNAXBP1

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 KMT2A 761/4885MAPT 1631/4885MEN1 2936/4885
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.