SCHEMBL14740783

SCHEMBL14740783

O=C(O)c1c(-c2cc(Cl)ccc2Cl)nc2ccccn12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.48
SMN1; SMN2 Q16637 5/20 0.47
RAB9A P51151 3/20 0.47
KMT2A Q03164 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GLA P06280 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
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

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
SCHEMBL14739948 0.89 DPP4 (0.50) DPP4SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL14739951 0.87 NPC1 (0.48) DPP4SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL14740261 0.85 ALDH1A1 (0.55) DPP4SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL14740062 0.83 CYP1A2 (0.65) DPP4SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL14740395 0.82 SLC2A1 (0.47) KMT2ALMNAALDH1A1GAAKDM4E
SCHEMBL14739455 0.82 JAK2 (0.40) SMN1; SMN2RAB9AKMT2ANPC1LMNA
SCHEMBL22614998 0.81 TUBB4A (0.57) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL14740056 0.80 ALDH1A1 (0.47) SMN1; SMN2RAB9AKMT2ANPC1ALDH1A1
SCHEMBL14740016 0.80 SMN1; SMN2 (0.51) DPP4SMN1; SMN2RAB9AKMT2ANPC1
SCHEMBL14740467 0.79 PDE4B (0.46) ALDH1A1

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
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
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 DPP4 1385/4885SMN1; SMN2 3151/4885RAB9A 1654/4885

“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.