SCHEMBL14740335

SCHEMBL14740335

Clc1ccc(-n2nnnc2-c2c(-c3cc(Cl)ccc3Cl)nc3ccccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
HSD17B10 Q99714 1/20 0.46
NR1I3 Q14994 9/20 0.45
ALDH1A1 P00352 4/20 0.43
DPP4 P27487 1/20 0.42
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HTT P42858 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NR1I2 O75469 2/20 0.40
POLB P06746 1/20 0.39

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
SCHEMBL14739184 0.91 ALDH1A1 (0.50) LMNAHSD17B10NR1I3ALDH1A1DPP4
SCHEMBL14740449 0.91 NR1I3 (0.45) LMNAHSD17B10NR1I3ALDH1A1DPP4
SCHEMBL14740306 0.91 NR1I3 (0.45) LMNAHSD17B10NR1I3ALDH1A1DPP4
SCHEMBL18622355 0.91 NR1I3 (0.47) LMNAHSD17B10NR1I3ALDH1A1DPP4
SCHEMBL14739635 0.85 L3MBTL1 (0.44) LMNAHSD17B10ALDH1A1NPSR1KDM4E
SCHEMBL14745122 0.83 KCNN4 (0.42) NR1I3ALDH1A1DPP4KDM4ENR1I2
SCHEMBL14740234 0.83 ALDH1A1 (0.43) LMNAHSD17B10NR1I3ALDH1A1NPSR1
SCHEMBL14740266 0.83 DPP4 (0.42) HSD17B10NR1I3ALDH1A1DPP4NPSR1
SCHEMBL14740387 0.83 DPP4 (0.42) HSD17B10NR1I3ALDH1A1DPP4NPSR1
SCHEMBL14740076 0.82 LMNA (0.43) LMNAHSD17B10ALDH1A1NPSR1KDM4E

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 10 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
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
WO-2013032939-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. (US) 2013-03-07 WO 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
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 US 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 LMNA 2636/4885HSD17B10 1243/4885NR1I3 197/4885

“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.