SCHEMBL14740476

SCHEMBL14740476

Clc1ccc(Cl)c(-c2nc3ccccn3c2-c2nncn2-c2ccc(N3CCOCC3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
SLC2A1 P11166 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NR1I3 Q14994 3/20 0.40
CNR2 P34972 2/20 0.39
ALOX5 P09917 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
PRKDC P78527 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
SCHEMBL14739626 0.93 NR1I3 (0.41) GAAMAPTKDM4ENR1I3MEN1
SCHEMBL14739952 0.90 KDM1A (0.40) MAPTNR1I3LMNAMAPKAPK2POLB
SCHEMBL14740051 0.90 NR1I3 (0.43) GAAKDM4ENR1I3KMT2APOLB
SCHEMBL14740103 0.86 NR1I3 (0.41) KDM4ENR1I3KMT2ADPP4
SCHEMBL14739332 0.86 MAPK13 (0.41) GAAKDM4ENR1I3POLBALDH1A1
SCHEMBL14739599 0.85 NR1I3 (0.41) GAAKDM4ENR1I3POLBALDH1A1
SCHEMBL14739276 0.84 NR1I3 (0.43) GAAKDM4ENR1I3POLBALDH1A1
SCHEMBL14739888 0.84 NR1I3 (0.40) GAAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL14739596 0.84 MAPT (0.39) GAAMAPTTP53SMN1; SMN2KDM4E
SCHEMBL14740120 0.84 NR1I3 (0.43) GAAKDM4ENR1I3MAPKAPK2POLB

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
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US claimed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US claimed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO claimed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-9593109-B2 Bicyclic agonists of GPR131 and uses thereof CYMABAY THERAPEUTICS, INC. (US) 2017-03-14 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US disclosed
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 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 (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-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF GPR119, GPR88, GPR3 GAA 1998/4885MAPT 4300/4885TP53 4561/4885

“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.