SCHEMBL2363480

SCHEMBL2363480

NC(CCCn1cnnn1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ARG1 P05089 4/20 0.46
GSR P00390 2/20 0.42
TP53 P04637 1/20 0.41
ARG2 P78540 4/20 0.39
NOS1 P29475 4/20 0.38
CYP1A2 P05177 2/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
NFKB1 P19838 1/20 0.38
APEX1 P27695 1/20 0.38
CYP2C19 P33261 1/20 0.38
NOS2 P35228 1/20 0.38
DDAH1 O94760 1/20 0.37
RAB9A P51151 1/20 0.37
SLC1A3 P43003 2/20 0.36
HMOX1 P09601 1/20 0.36
GRM8 O00222 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
SCHEMBL2363478 1.00 ALDH1A1 (0.47) ALDH1A1MEN1KMT2AARG1GSR
SCHEMBL25660498 0.90 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AARG1GSR
SCHEMBL5828068 0.80 MEN1 (0.43) ALDH1A1MEN1KMT2ATP53SLC1A3
SCHEMBL2300214 0.75 EGLN3 (0.54) MEN1KMT2AARG1GSRARG2
SCHEMBL2300220 0.75 EGLN3 (0.54) MEN1KMT2AARG1GSRARG2
SCHEMBL15209056 0.74 ARG1 (0.52) ALDH1A1KMT2AARG1GSRARG2
SCHEMBL15209057 0.74 ARG1 (0.52) ALDH1A1KMT2AARG1GSRARG2
SCHEMBL6373759 0.74 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ATP53RAB9A
SCHEMBL2304802 0.73 EGLN3 (0.51) ALDH1A1ARG1GSRARG2NOS1
SCHEMBL2304814 0.73 EGLN3 (0.51) ALDH1A1ARG1GSRARG2NOS1

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 8 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-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
CN-102858744-A Trypsin-like serine protease inhibitor and preparation method and application thereof HEROLD PETER 2013-01-02 CN 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
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 (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-20140073573-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 ALDH1A1 3854/4885MEN1 1294/4885KMT2A 1780/4885
US-20110301196-A1 TRYPSIN-LIKE SERINE PROTEASE INHIBITORS, AND THEIR PREPARATION AND USE SERPINE1, SPINT2, SERPINB1 ALDH1A1 3854/4885MEN1 1294/4885KMT2A 1780/4885

“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.