SCHEMBL4553738

SCHEMBL4553738

N=C(N)c1ccc(NC(=O)Nc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.77
PRSS1 P07477 3/20 0.77
PRSS2 P07478 1/20 0.77
PRSS3 P35030 1/20 0.77
TMPRSS6 Q8IU80 1/20 0.77
ST14 Q9Y5Y6 1/20 0.77
PLAU P00749 3/20 0.63
PLG P00747 2/20 0.57
F10 P00742 1/20 0.57
PLAT P00750 1/20 0.57
MAPT P10636 1/20 0.56
RAB9A P51151 1/20 0.56
KLKB1 P03952 1/20 0.53
ITGB3 P05106 1/20 0.53
ITGA2B P08514 1/20 0.53
F7 P08709 1/20 0.52

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
SCHEMBL4311708 0.91 F2 (0.65) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL13791589 0.86 PLAU (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4224686 0.85 F2 (0.74) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL13714709 0.84 F2 (0.61) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL30583351 0.83 PLAU (0.63) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL14599554 0.83 PRSS1 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7903320 0.83 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL8994029 0.83 F2 (0.71) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL12348110 0.82 F7 (0.67) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL4426386 0.82 F7 (0.64) F2PRSS1PRSS2PRSS3TMPRSS6

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 F2 4809/4885PRSS1 1796/4885PRSS2 2174/4885
US-20120115915-A1 N,N'-DIARYLUREA COMPOUNDS AND N,N'-DIARYLTHIOUREA COMPOUNDS AS INHIBITORS OF TRANSLATION INITIATION NSUN2, EIF2AK2, RNGTT F2 4809/4885PRSS1 1796/4885PRSS2 2174/4885

“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.