SCHEMBL14752175

SCHEMBL14752175

N/N=C(\Nc1ccc(Cl)cc1)c1c(-c2cc(Cl)ccc2Cl)nc2occn12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 5/20 0.39
NR1I2 O75469 2/20 0.38
BRAF P15056 2/20 0.33
AGPAT2 O15120 1/20 0.33
JAK2 O60674 1/20 0.33
NTRK1 P04629 1/20 0.33
FYN P06241 1/20 0.33
CYP3A4 P08684 1/20 0.33
ROS1 P08922 1/20 0.33
NTRK3 Q16288 1/20 0.33
NTRK2 Q16620 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.32
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
PTPN7 P35236 1/20 0.31
KDM4E B2RXH2 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL14740346 0.80 SMN1; SMN2 (0.49) NR1I3NR1I2CYP3A4LMNAALDH1A1
SCHEMBL14740345 0.80 SMN1; SMN2 (0.49) NR1I3NR1I2CYP3A4LMNAALDH1A1
SCHEMBL14739562 0.78 NR1I3 (0.39) NR1I3NR1I2JAK2NTRK1FYN
SCHEMBL14752174 0.78 MAPT (0.47) NR1I3JAK2CYP3A4ALDH1A1KDM4E
SCHEMBL14752139 0.72 MAPT (0.44) NR1I3CYP3A4ALDH1A1KDM4ERAB9A
SCHEMBL14740230 0.72 GAA (0.51) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL14739998 0.72 GAA (0.51) LMNAALDH1A1KDM4ENPC1RAB9A
SCHEMBL14752141 0.72 POLB (0.43) LMNAALDH1A1POLBKDM4ENPC1
SCHEMBL14739621 0.70 NR1I3 (0.45) NR1I3NR1I2ALDH1A1RAB9AHTR2B
SCHEMBL14740292 0.67 LMNA (0.40) NR1I3NR1I2CYP3A4LMNAALDH1A1

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 5 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 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
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 NR1I3 197/4885NR1I2 147/4885BRAF 4673/4885

“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.