SCHEMBL4554291

SCHEMBL4554291

CC(=O)N/N=C\CCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
ALDH1A1 P00352 6/20 0.54
POLB P06746 1/20 0.54
KDM4E B2RXH2 5/20 0.51
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.46
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.44
GAA P10253 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GPR52 Q9Y2T5 2/20 0.42

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
SCHEMBL23253782 0.83 ALDH1A1 (0.60) SMN1; SMN2ALDH1A1POLBKDM4ERECQL
SCHEMBL4923713 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1POLBKDM4ECYP1A2
SCHEMBL4923704 0.82 SMN1; SMN2 (0.69) SMN1; SMN2ALDH1A1POLBKDM4ECYP1A2
SCHEMBL29786246 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1POLBKDM4ECYP1A2
SCHEMBL10147915 0.79 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1POLBKDM4ECYP1A2
SCHEMBL24832336 0.78 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL2993486 0.76 SMN1; SMN2 (0.61) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL10220038 0.73 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1POLBKDM4EMAPT
SCHEMBL14667521 0.71 KDM4E (0.79) ALDH1A1POLBKDM4ERECQLMAPT
SCHEMBL368054 0.70 TDP1 (0.46) SMN1; SMN2ALDH1A1POLBMAPTHPGD

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 5 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-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
WO-2012162025-A1 METHODS OF SELECTING CANCER PATIENTS FOR TREATMENT WITH N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-11-29 WO 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
WO-2010138820-A2 N,N-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2010-12-02 WO 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 3464/4885POLB 249/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT SMN1; SMN2 850/4885ALDH1A1 3464/4885POLB 249/4885

“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.