SCHEMBL4548287

SCHEMBL4548287

Cc1ccc(NC(=O)Nc2ccc(C)cc2C)cc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.61
KMT2A Q03164 5/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
ALDH1A1 P00352 3/20 0.61
GAA P10253 3/20 0.61
CXCR2 P25025 1/20 0.59
RAB9A P51151 5/20 0.59
MAPT P10636 4/20 0.59
TP53 P04637 2/20 0.59
NPC1 O15118 2/20 0.58
GBA1 P04062 1/20 0.57
HTT P42858 1/20 0.56
MAPK1 P28482 1/20 0.54

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
SCHEMBL11350134 0.91 MEN1 (0.71) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4548043 0.90 SMN1; SMN2 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL5853268 0.90 CXCR2 (0.74) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL7823604 0.89 MAPT (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4124525 0.88 NTRK1 (0.55) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL13556605 0.87 RAB9A (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1RAB9A
SCHEMBL10069535 0.85 PTPN7 (0.73) KMT2AALDH1A1MAPT
SCHEMBL1275920 0.82 ALDH1A1 (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL5852186 0.82 DDX3X (0.70) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL11423709 0.81 MEN1 (0.65) MEN1KMT2ASMN1; SMN2ALDH1A1GAA

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-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-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS BAYER HEALTHERCARE LLC (US) 2012-10-25 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 (3 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 MEN1 2936/4885KMT2A 761/4885SMN1; SMN2 850/4885
US-20120270878-A1 INHIBITION OF P38 KINASE USING SYMMETRICAL AND UNSYMMETRICAL DIPHENYL UREAS MAP2K2, MAPK1, MAP2K1 MEN1 4566/4885KMT2A 2870/4885SMN1; SMN2 3312/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT MEN1 2936/4885KMT2A 761/4885SMN1; 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.