SCHEMBL4548170

SCHEMBL4548170

O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.63
BRAF P15056 2/20 0.63
SMN1; SMN2 Q16637 3/20 0.60
L3MBTL1 Q9Y468 2/20 0.59
EPHX2 P34913 1/20 0.58
LMNA P02545 3/20 0.57
GAA P10253 3/20 0.57
MAPT P10636 2/20 0.57
GLA P06280 1/20 0.57
IDH2 P48735 1/20 0.56
TSHR P16473 1/20 0.56
HSD17B10 Q99714 1/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX12 P18054 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55

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
SCHEMBL5863308 0.81 EPHX2 (0.72) ALDH1A1SMN1; SMN2EPHX2LMNAGAA
SCHEMBL5569244 0.79 RAF1 (0.69) ALDH1A1BRAFEPHX2
SCHEMBL20357282 0.79 ALDH1A1 (0.79) ALDH1A1SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL23406402 0.78 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL1813423 0.78 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL29636844 0.78 ALDH1A1 (0.77) ALDH1A1SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL4548169 0.77 SMN1; SMN2 (0.66) ALDH1A1SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL27073136 0.77 GAA (0.63) ALDH1A1SMN1; SMN2L3MBTL1LMNAGAA
SCHEMBL4555002 0.76 MAPT (0.64) ALDH1A1SMN1; SMN2LMNAGAAMAPT
SCHEMBL4548155 0.76 SMN1; SMN2 (0.52) ALDH1A1BRAFSMN1; SMN2L3MBTL1LMNA

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 ALDH1A1 3464/4885BRAF 3879/4885SMN1; SMN2 850/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT ALDH1A1 3464/4885BRAF 3879/4885SMN1; SMN2 850/4885

“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.