SCHEMBL14740779

SCHEMBL14740779

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.53
TP53 P04637 2/20 0.53
SMN1; SMN2 Q16637 7/20 0.52
KMT2A Q03164 5/20 0.52
RAB9A P51151 5/20 0.52
NPC1 O15118 4/20 0.52
MAPT P10636 5/20 0.51
LMNA P02545 4/20 0.51
MEN1 O00255 4/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43

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
SCHEMBL14740016 0.92 SMN1; SMN2 (0.51) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL14740343 0.86 GAA (0.51) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL14744636 0.86 SMN1; SMN2 (0.67) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL14739998 0.84 GAA (0.51) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL14740230 0.84 GAA (0.51) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL18622282 0.79 SMN1; SMN2 (0.54) GAASMN1; SMN2KMT2ARAB9ANPC1
SCHEMBL14752145 0.78 SMN1; SMN2 (0.46) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL14740345 0.76 SMN1; SMN2 (0.49) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL14740346 0.76 SMN1; SMN2 (0.49) GAATP53SMN1; SMN2KMT2ARAB9A
SCHEMBL14739951 0.75 NPC1 (0.48) SMN1; SMN2KMT2ARAB9ANPC1ALDH1A1

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 GAA 1998/4885TP53 4561/4885SMN1; SMN2 3151/4885

“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.