SCHEMBL4801933

SCHEMBL4801933

N=C(N)c1ccc(OC(=O)CN)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 4/20 0.53
ST14 Q9Y5Y6 4/20 0.53
PLAU P00749 2/20 0.53
PRSS1 P07477 9/20 0.53
TMPRSS2 O15393 2/20 0.52
PRMT1 Q99873 3/20 0.50
PRSS2 P07478 3/20 0.50
PRSS3 P35030 3/20 0.50
PRMT5 O14744 1/20 0.50
SLC22A2 O15244 1/20 0.50
SLC22A1 O15245 1/20 0.50
PTP4A3 O75365 1/20 0.50
SLC22A3 O75751 1/20 0.50
F10 P00742 1/20 0.50
PLG P00747 1/20 0.50
S100B P04271 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50

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
SCHEMBL28216941 0.85 PARP10 (0.57)
SCHEMBL11767220 0.84 ESR1 (0.66) F2ST14PLAUPRSS1TMPRSS2
SCHEMBL8905138 0.82 PRSS1 (0.50) F2ST14PLAUPRSS1TMPRSS2
SCHEMBL4587308 0.81 HSD17B10 (0.52)
Hydrochloric Acid SCHEMBL8500971 0.81 PRSS1 (0.51) F2ST14PLAUPRSS1TMPRSS2
SCHEMBL8503419 0.81 PRSS1 (0.51) F2ST14PLAUPRSS1TMPRSS2
Hydrochloric Acid SCHEMBL8497832 0.80 PRSS1 (0.53) F2ST14PLAUPRSS1TMPRSS2
SCHEMBL10593101 0.79 KMT2A (0.57)
SCHEMBL27500022 0.77 PRSS1 (0.59) F2ST14PLAUPRSS1TMPRSS2
SCHEMBL5973253 0.76 KMT2A (0.43) F2PLAUPRSS1TMPRSS2PRSS2

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
CN-102584940-B Peptidic compounds UNIV WOLLONGONG 2014-12-31 CN disclosed
CN-102584939-B Peptidic compounds UNIV WOLLONGONG 2014-08-06 CN disclosed
CN-101142175-B Peptide compounds UNIV WOLLONGONG 2013-03-06 CN disclosed
US-7407982-B2 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2008-08-05 US disclosed
US-20050070479-A1 Oligo or polyalkylene glycol-coupled thrombin inhibitors HAEMOSYS GMBH (DE) 2005-03-31 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 (1 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-20050070479-A1 Oligo or polyalkylene glycol-coupled thrombin inhibitors TFPI, SERPINC1, PLG F2 5/4885ST14 125/4885PLAU 39/4885

“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.