SCHEMBL4548169

SCHEMBL4548169

O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.66
ALDH1A1 P00352 6/20 0.65
L3MBTL1 Q9Y468 1/20 0.61
GAA P10253 3/20 0.59
LMNA P02545 2/20 0.59
TSHR P16473 2/20 0.58
HSD17B10 Q99714 1/20 0.58
KDM4E B2RXH2 1/20 0.58
NPSR1 Q6W5P4 2/20 0.57
ALOX12 P18054 1/20 0.57
SRPK1 Q96SB4 1/20 0.57
HTT P42858 1/20 0.57
IDH2 P48735 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
SCHEMBL329953 0.81 GAA (0.67) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL20357282 0.81 ALDH1A1 (0.79) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL23406402 0.79 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL29636844 0.79 ALDH1A1 (0.77) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL1813423 0.79 ALDH1A1 (1.00) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL12653702 0.78 LMNA (0.64) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL10144138 0.78 KDM4E (0.65) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL12653712 0.78 CRHBP (0.71) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL5111331 0.77 LMNA (0.62) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA
SCHEMBL4548170 0.77 ALDH1A1 (0.63) SMN1; SMN2ALDH1A1L3MBTL1GAALMNA

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 850/4885ALDH1A1 3464/4885L3MBTL1 462/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT SMN1; SMN2 850/4885ALDH1A1 3464/4885L3MBTL1 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.