SCHEMBL4548155

SCHEMBL4548155

COc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCC(C(F)(F)F)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDR P35968 1/20 0.50
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
BRAF P15056 2/20 0.49
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CSNK1D P48730 1/20 0.47
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47
SCN10A Q9Y5Y9 1/20 0.46
P2RY1 P47900 1/20 0.46
SRPK1 Q96SB4 1/20 0.46
NPC1 O15118 1/20 0.46

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
SCHEMBL4555002 0.77 MAPT (0.64) SMN1; SMN2LMNAKDRMAPTMEN1
SCHEMBL4548170 0.76 ALDH1A1 (0.63) SMN1; SMN2LMNAL3MBTL1MAPTTSHR
SCHEMBL3485234 0.75 KDR (0.71) SMN1; SMN2LMNAKDRMAPTMEN1
SCHEMBL15277928 0.75 MAPT (0.53) SMN1; SMN2LMNAL3MBTL1KDRMAPT
SCHEMBL27073136 0.73 GAA (0.63) SMN1; SMN2LMNAL3MBTL1MAPTTSHR
SCHEMBL1110651 0.71 KMT2A (0.60) LMNAKDRMAPTMEN1TSHR
SCHEMBL20117642 0.70 MEN1 (0.45) SMN1; SMN2LMNAL3MBTL1KDRMAPT
SCHEMBL21322827 0.70 MEN1 (0.45) SMN1; SMN2LMNAL3MBTL1KDRMAPT
SCHEMBL21469676 0.70 LMNA (0.61) SMN1; SMN2LMNAL3MBTL1TSHRHTT
SCHEMBL31028974 0.70 LMNA (0.61) SMN1; SMN2LMNAL3MBTL1TSHRHTT

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 SMN1; SMN2 850/4885LMNA 448/4885L3MBTL1 462/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT SMN1; SMN2 850/4885LMNA 448/4885L3MBTL1 462/4885

“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.