SCHEMBL4548052

SCHEMBL4548052

CCCN(C(=O)Nc1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
GAA P10253 2/20 0.55
HTT P42858 1/20 0.55
HSD17B10 Q99714 2/20 0.55
USP2 O75604 1/20 0.55
NPSR1 Q6W5P4 1/20 0.53
THRB P10828 1/20 0.53
ALDH1A1 P00352 3/20 0.52
RAB9A P51151 2/20 0.52
NPC1 O15118 1/20 0.52
ALOX15 P16050 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.51
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA9 Q16790 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL4554499 0.91 HSD17B10 (0.60) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL20016685 0.88 MEN1 (0.79) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL10712814 0.86 EPHX2 (0.52) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL10708269 0.82 HTT (0.53) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL10705546 0.81 GCGR (0.53) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL5819195 0.80 KMT2A (0.57) MEN1KMT2AMAPTSMN1; SMN2GAA
SCHEMBL9749098 0.79 MEN1 (0.69) MEN1KMT2AHTTHSD17B10USP2
SCHEMBL17932837 0.79 USP2 (0.63) MEN1KMT2AMAPTHTTHSD17B10
SCHEMBL10595693 0.79 GAA (0.61) MEN1KMT2AMAPTGAAHTT
SCHEMBL11506385 0.78 MEN1 (0.68) MEN1KMT2AHTTHSD17B10USP2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MEN1 2936/4885KMT2A 761/4885MAPT 1631/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MEN1 2936/4885KMT2A 761/4885MAPT 1631/4885

“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.