SCHEMBL356961

SCHEMBL356961

O=C(c1cccs1)C1CNC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
DAO P14920 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.46
SLC18A3 Q16572 1/20 0.46
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
HDAC1 Q13547 1/20 0.46
HSD17B10 Q99714 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.43
HPGDS O60760 1/20 0.43
GSK3B P49841 1/20 0.43
HPGD P15428 2/20 0.42

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
SCHEMBL4152061 0.86 ALDH1A1 (0.46) CES2CES1DAOALDH1A1GAA
SCHEMBL4160439 0.84 TSHR (0.46) CES2CES1ALDH1A1GAASLC18A3
SCHEMBL621714 0.82 ALDH1A1 (0.58) CES2CES1DAOALDH1A1GAA
SCHEMBL229300 0.82 ALDH1A1 (0.51) CES2CES1DAOALDH1A1GAA
Hydrochloric Acid SCHEMBL228752 0.81 ALDH1A1 (0.50) CES2CES1DAOALDH1A1GAA
Bromide SCHEMBL10964629 0.81 ALDH1A1 (0.50) CES2CES1DAOALDH1A1GAA
SCHEMBL7005733 0.79 TSHR (0.57) CES2CES1DAOALDH1A1GAA
SCHEMBL5046057 0.78 RAB9A (0.58) CES2CES1DAOALDH1A1GAA
SCHEMBL9777027 0.78 RAB9A (0.58) CES2CES1DAOALDH1A1GAA
SCHEMBL4673525 0.75 ALDH1A1 (0.51) CES2CES1DAOALDH1A1GAA

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-2592933-B1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2017-04-05 EP disclosed
EP-2592933-B1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2017-04-05 EP disclosed
US-9050334-B2 MIF inhibitors and their uses INNOV88 LLC (US) 2015-06-09 US disclosed
US-9050334-B2 MIF inhibitors and their uses INNOV88 LLC (US) 2015-06-09 US disclosed
US-9050334-B2 MIF inhibitors and their uses INNOV88 LLC (US) 2015-06-09 US disclosed
EP-2592933-A1 MIF INHIBITORS AND THEIR USES Gaweco, Anderson (US) 2013-05-22 EP disclosed
US-20120035150-A1 MIF INHIBITORS AND THEIR USES INNOV88 LLC 2012-02-09 US disclosed
US-20120035150-A1 MIF INHIBITORS AND THEIR USES INNOV88 LLC 2012-02-09 US disclosed
US-20120035150-A1 MIF INHIBITORS AND THEIR USES INNOV88 LLC 2012-02-09 US disclosed
WO-2012009649-A1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2012-01-19 WO disclosed
WO-2012009649-A1 MIF INHIBITORS AND THEIR USES GAWECO ANDERSON (US) 2012-01-19 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 (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-20120035150-A1 MIF INHIBITORS AND THEIR USES MIF, SERPINB1, HMGB2 CES2 3235/4885CES1 768/4885DAO 3770/4885

“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.