SCHEMBL321860

SCHEMBL321860

CC(=O)ONC(=N)c1ccc(CN)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 3/20 0.56
▸ HDAC3 O15379 1/20 0.49
▸ HDAC6 Q9UBN7 1/20 0.49
▸ NCOR2 Q9Y618 1/20 0.49
▸ F10 P00742 1/20 0.48
▸ ST14 Q9Y5Y6 2/20 0.41
▸ PRSS1 P07477 3/20 0.41
▸ PLG P00747 2/20 0.41
▸ PLAU P00749 2/20 0.41
▸ PLAT P00750 1/20 0.41
▸ KLKB1 P03952 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TPSAB1 Q15661 3/20 0.41
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ F2 P00734 2/20 0.38
▸ PRSS2 P07478 2/20 0.38
▸ PRSS3 P35030 2/20 0.38

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
SCHEMBL3150195 0.80 LOXL2 (0.56) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL8174586 0.80 RAB9A (0.38) LOXL2ST14PRSS1PLGKDM4E
SCHEMBL12025736 0.79 LOXL2 (0.56) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL752626 0.79 TPMT (0.42) PRSS1F2PRSS2PRSS3KMT2A
SCHEMBL5395162 0.79 LOXL2 (0.52) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL326766 0.78 ALDH1A1 (0.37) KDM4ESMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL6789524 0.77 LOXL2 (0.50) LOXL2HDAC3HDAC6NCOR2F10
Hydrochloric Acid SCHEMBL6792710 0.77 LOXL2 (0.50) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL8363408 0.76 LOXL2 (0.57) LOXL2HDAC3HDAC6NCOR2F10
SCHEMBL15328960 0.76 GAA (0.60) F10ST14PRSS1PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9611290-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2017-04-04 — — US disclosed
EP-2528895-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE MEDICINES CO LEIPZIG GMBH (DE) 2016-03-30 — — EP disclosed
US-8921319-B2 Serine protease inhibitors THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-12-30 — — US disclosed
EP-2590945-B1 SERINE PROTEASE INHIBITORS MEDICINES CO LEIPZIG GMBH (DE) 2014-04-30 — — EP disclosed
US-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2014-03-13 — — US disclosed
US-8598206-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-12-03 — — US disclosed
US-20130267467-A1 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-10-10 — — US disclosed
EP-2590945-A2 SERINE PROTEASE INHIBITORS The Medicines Company (Leipzig) GmbH (DE) 2013-05-15 — — EP disclosed
EP-2528895-A2 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE The Medicines Company (Leipzig) GmbH (DE) 2012-12-05 — — EP disclosed
WO-2012004678-A2 SERINE PROTEASE INHIBITORS THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-01-12 — — WO disclosed
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2011-12-08 — — US disclosed
WO-2011094496-A2 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (US) 2011-08-04 — — 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 (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-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 LOXL2 1527/4885HDAC3 1708/4885HDAC6 2789/4885
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 LOXL2 1527/4885HDAC3 1708/4885HDAC6 2789/4885
US-20130267467-A1 SERINE PROTEASE INHIBITORS SERPINE1, KLKB1, SERPINC1 LOXL2 1016/4885HDAC3 2006/4885HDAC6 2551/4885

“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.

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