SCHEMBL3191980

SCHEMBL3191980

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 4/20 0.48
▸ F10 P00742 1/20 0.48
▸ HDAC3 O15379 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ NCOR2 Q9Y618 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ F11 P03951 1/20 0.40
▸ PLAU P00749 2/20 0.38
▸ PLG P00747 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ ST14 Q9Y5Y6 2/20 0.38
▸ NOS3 P29474 2/20 0.38
▸ NOS1 P29475 2/20 0.38
▸ NOS2 P35228 2/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ TPSAB1 Q15661 2/20 0.37
▸ ABAT P80404 1/20 0.36

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
SCHEMBL3191418 0.80 NOS1 (0.44) PRSS1ST14NOS1KMT2AALDH1A1
SCHEMBL3275650 0.79 LOXL2 (0.44) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL7465608 0.75 LOXL2 (0.52) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL24620530 0.73 LOXL2 (0.64) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL856509 0.73 KMT2A (0.67) LOXL2F10HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL7398643 0.71 KMT2A (0.64) LOXL2F10HDAC3HDAC6NCOR2
Hydrochloric Acid SCHEMBL10923292 0.70 F10 (0.50) LOXL2F10HDAC3HDAC6NCOR2
Ethylene SCHEMBL11090983 0.70 KMT2A (0.61) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL24514392 0.69 LOXL2 (0.59) LOXL2F10HDAC3HDAC6NCOR2
SCHEMBL321860 0.69 LOXL2 (0.56) LOXL2F10HDAC3HDAC6NCOR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2054380-B1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE MEDICINES CO LEIPZIG GMBH (DE) 2013-09-11 — — EP disclosed
US-8513461-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-08-20 — — US disclosed
US-20130165510-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-06-27 — — US disclosed
US-8410310-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2013-04-02 — — US disclosed
EP-2502906-A2 Trypsin-like serine protease inhibitors, their preparation and use The Medicines Company (Leipzig) GmbH (DE) 2012-09-26 — — EP disclosed
US-20120225913-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE The Medicine Company (Leipzig) GmbH (DE) 2012-09-06 — — US disclosed
US-8207378-B2 Trypsin-like serine protease inhibitors, and their preparation and use THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2012-06-26 — — US disclosed
US-20100022781-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2010-01-28 — — US disclosed
EP-2054380-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE The Medicines Company (Leipzig) GmbH (DE) 2009-05-06 — — EP disclosed
WO-2008049595-A9 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE CURACYTE DISCOVERY GMBH (DE) 2009-01-29 — — WO disclosed
WO-2008049595-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE THE MEDICINES COMPANY (LEIPZIG) GMBH (DE) 2008-05-02 — — 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-20120225913-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, TFPI, SPINT2 LOXL2 1109/4885F10 34/4885HDAC3 2984/4885
US-20100022781-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, TFPI, SPINT2 LOXL2 1052/4885F10 30/4885HDAC3 3028/4885
US-20130165510-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE TFPI, SERPINE1, SPINT2 LOXL2 1040/4885F10 38/4885HDAC3 3160/4885

“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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