SCHEMBL14752145

SCHEMBL14752145

COC(C/N=C(\Nc1ccc(Cl)cc1)c1c(-c2ccccc2Cl)nc2ccccn12)OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
RAB9A P51151 5/20 0.46
KMT2A Q03164 3/20 0.46
NPC1 O15118 3/20 0.46
GAA P10253 2/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
MEN1 O00255 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
DPP4 P27487 1/20 0.38
TUBB4A P04350 2/20 0.37
TUBB P07437 2/20 0.37
TUBA3C P0DPH7 2/20 0.37
TUBA1B P68363 2/20 0.37
TUBA4A P68366 2/20 0.37

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
SCHEMBL14740112 0.94 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740111 0.94 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14752213 0.94 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14739998 0.82 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740230 0.82 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14752146 0.78 PDE4B (0.37)
SCHEMBL14744636 0.78 SMN1; SMN2 (0.67) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740779 0.78 GAA (0.53) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740113 0.76 DPP4 (0.38) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740345 0.75 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2ANPC1GAA

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
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 SMN1; SMN2 3151/4885RAB9A 1654/4885KMT2A 4374/4885

“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.