SCHEMBL4879412

SCHEMBL4879412

N=C(N)c1ccc(O)c(N)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 17/20 0.53
PLAU P00749 2/20 0.50
LMNA P02545 1/20 0.50
F12 P00748 1/20 0.50
MASP2 O00187 1/20 0.50
THPO P40225 1/20 0.50
F2 P00734 1/20 0.50
PLG P00747 1/20 0.50
PLAT P00750 1/20 0.50
KLK1 P06870 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
Hydrochloric Acid SCHEMBL4873602 0.98 PRSS1 (0.55) PRSS1PLAUF12F2PLG
SCHEMBL7330212 0.87 PRSS1 (0.49) PRSS1PLAU
SCHEMBL9314470 0.81 LMNA (0.54) PRSS1PLAULMNAF12MASP2
SCHEMBL1303895 0.81 PRSS1 (0.57) PRSS1PLAUMASP2THPOF2
SCHEMBL8065481 0.80 ALDH1A1 (0.50) PRSS1LMNA
Hydrochloric Acid SCHEMBL4280302 0.79 LMNA (0.52) PRSS1PLAULMNAF12MASP2
Hydrochloric Acid SCHEMBL30833530 0.79 PRSS1 (0.58) PRSS1PLAUMASP2THPOF2
Hydrochloric Acid SCHEMBL8412855 0.79 PRSS1 (0.58) PRSS1PLAUMASP2THPOF2
Hydrochloric Acid SCHEMBL1303376 0.79 PRSS1 (0.58) PRSS1PLAUMASP2THPOF2
SCHEMBL3015286 0.77 LCK (0.55) LMNA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity MORPHOCHEM AKTIENGESELLSCHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2008-02-28 US disclosed
EP-1470143-B1 COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY MORPHOCHEM AG KOMB CHEMIE (DE) 2007-10-31 EP disclosed
CN-1322001-C Novel compounds that inhibit factor Xa activity MORPHOCHEM AG FUER KOM (DE) 2007-06-20 CN disclosed
EP-1773855-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2007-04-18 EP disclosed
WO-2006008141-A1 NOVEL COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2006-01-26 WO disclosed
CN-1625559-A Novel compounds that inhibit factor Xa activity MORPHOCHEM AG FUER KOM (DE) 2005-06-08 CN disclosed
US-20050049283-A1 Compounds that inhibit factor xa activity MORPHOCHEM AKTIENGESELLSHAFT FUR KOMBINATORISCHE CHEMIE (DE) 2005-03-03 US disclosed
EP-1470143-A1 COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft Für Kombinatorische Chemie (DE) 2004-10-27 EP disclosed
WO-2003064440-A1 COMPOUNDS THAT INHIBIT FACTOR XA ACTIVITY Morphochem Aktiengesellschaft für kombinatorische Chemie (DE) 2003-08-07 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-20080051388-A1 Novel Compounds That Inhibit Factor Xa Activity SERPINC1, TFPI, F11 PRSS1 40/4885PLAU 28/4885LMNA 939/4885
US-20050049283-A1 Compounds that inhibit factor xa activity F11, TFPI, SERPINC1 PRSS1 83/4885PLAU 39/4885LMNA 686/4885

“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.