SCHEMBL4554993

SCHEMBL4554993

O=C(Nc1ccccc1)Nc1ccc(C(=O)N/N=C2/CCc3ccccc32)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 13/20 0.69
MAPT P10636 13/20 0.69
RAB9A P51151 11/20 0.69
NPC1 O15118 10/20 0.69
ALDH1A1 P00352 2/20 0.69
KMT2A Q03164 1/20 0.69
L3MBTL1 Q9Y468 1/20 0.69
GAA P10253 3/20 0.56
TDP1 Q9NUW8 2/20 0.56
KDM4E B2RXH2 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.54
HTT P42858 1/20 0.53
SIRT1 Q96EB6 1/20 0.51
TAAR1 Q96RJ0 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
SCHEMBL4734171 0.86 SMN1; SMN2 (0.80) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL4734168 0.86 SMN1; SMN2 (0.80) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL20520189 0.86 SMN1; SMN2 (0.80) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL7449894 0.79 SMN1; SMN2 (0.74) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL17206744 0.79 SMN1; SMN2 (0.74) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL14938579 0.77 SMN1; SMN2 (0.69) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL12113118 0.73 SIRT1 (0.92) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL12010921 0.73 SIRT1 (0.92) SMN1; SMN2MAPTRAB9ANPC1KMT2A
SCHEMBL4554299 0.72 SMN1; SMN2 (0.67) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1
SCHEMBL17206746 0.72 SMN1; SMN2 (0.87) SMN1; SMN2MAPTRAB9ANPC1ALDH1A1

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 4 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-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-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 850/4885MAPT 1631/4885RAB9A 2490/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT SMN1; SMN2 850/4885MAPT 1631/4885RAB9A 2490/4885

“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.