SCHEMBL14744636

SCHEMBL14744636

O=C(Nc1ccc(Cl)cc1)c1c(-c2ccccc2Cl)nc2ccccn12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.67
RAB9A P51151 6/20 0.67
KMT2A Q03164 4/20 0.67
NPC1 O15118 3/20 0.67
GAA P10253 3/20 0.58
MAPK1 P28482 2/20 0.55
LMNA P02545 3/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.53
HTT P42858 2/20 0.53
GLA P06280 1/20 0.53
KDM4E B2RXH2 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TP53 P04637 1/20 0.50
GPBAR1 Q8TDU6 1/20 0.50
TUBB4A P04350 1/20 0.48
TUBB P07437 1/20 0.48
TUBA3C P0DPH7 1/20 0.48
TUBA1B P68363 1/20 0.48

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
SCHEMBL14740475 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740779 0.86 GAA (0.53) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14739998 0.84 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740230 0.84 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14739951 0.80 NPC1 (0.48) SMN1; SMN2RAB9AKMT2ANPC1MAPK1
SCHEMBL14740261 0.79 ALDH1A1 (0.55) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14739782 0.79 DPP4 (0.45) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740016 0.78 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14752145 0.78 SMN1; SMN2 (0.46) SMN1; SMN2RAB9AKMT2ANPC1GAA
SCHEMBL14740346 0.76 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 6 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
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.