SCHEMBL14740343

SCHEMBL14740343

S=C(Nc1ccc(Cl)cc1)c1c(-c2ccccc2Cl)nc2ccncn12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.51
TP53 P04637 3/20 0.51
MAPT P10636 8/20 0.41
GPBAR1 Q8TDU6 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.38
KMT2A Q03164 6/20 0.38
LMNA P02545 5/20 0.38
MEN1 O00255 5/20 0.38
ALDH1A1 P00352 5/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
HTT P42858 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
BRAF P15056 1/20 0.37
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.36
CASP3 P42574 1/20 0.36

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 0.87 SMN1; SMN2 (0.50) GAATP53MAPTGPBAR1SMN1; SMN2
SCHEMBL14740779 0.86 GAA (0.53) GAATP53MAPTGPBAR1SMN1; SMN2
SCHEMBL14740016 0.79 SMN1; SMN2 (0.51) GAATP53MAPTSMN1; SMN2KMT2A
SCHEMBL14739355 0.77 KMT2A (0.41) GAATP53KMT2ALMNAMEN1
SCHEMBL14744636 0.73 SMN1; SMN2 (0.67) GAATP53MAPTGPBAR1SMN1; SMN2
SCHEMBL14739556 0.71 CYP1A2 (0.53) TP53MAPTSMN1; SMN2KMT2ALMNA
SCHEMBL14740230 0.71 GAA (0.51) GAATP53MAPTGPBAR1SMN1; SMN2
SCHEMBL14739998 0.71 GAA (0.51) GAATP53MAPTGPBAR1SMN1; SMN2
SCHEMBL14739455 0.69 JAK2 (0.40) TP53SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL14739693 0.68 ALDH1A1 (0.48) GAAMAPTKMT2ALMNAMEN1

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 2 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-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 GAA 1998/4885TP53 4561/4885MAPT 4300/4885

“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.