SCHEMBL14740261

SCHEMBL14740261

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.55
GAA P10253 5/20 0.55
KMT2A Q03164 4/20 0.55
KDM4E B2RXH2 2/20 0.55
DPP4 P27487 1/20 0.50
SMN1; SMN2 Q16637 5/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 2/20 0.49
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
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

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 0.87 DPP4 (0.50) ALDH1A1GAAKMT2AKDM4EDPP4
SCHEMBL14740783 0.85 DPP4 (0.48) ALDH1A1GAAKMT2AKDM4EDPP4
SCHEMBL14739693 0.84 ALDH1A1 (0.48) ALDH1A1GAAKMT2AKDM4EDPP4
SCHEMBL22615009 0.83 ALDH1A1 (0.60) ALDH1A1GAAKMT2AKDM4ESMN1; SMN2
SCHEMBL14752208 0.82 EPHB2 (0.46) ALDH1A1GAAKMT2AKDM4ESMN1; SMN2
SCHEMBL14740062 0.81 CYP1A2 (0.65) ALDH1A1KMT2AKDM4EDPP4SMN1; SMN2
SCHEMBL14744636 0.79 SMN1; SMN2 (0.67) ALDH1A1GAAKMT2AKDM4ESMN1; SMN2
SCHEMBL14740346 0.79 SMN1; SMN2 (0.49) ALDH1A1GAAKMT2AKDM4EDPP4
SCHEMBL14740345 0.79 SMN1; SMN2 (0.49) ALDH1A1GAAKMT2AKDM4EDPP4
SCHEMBL14740016 0.78 SMN1; SMN2 (0.51) ALDH1A1GAAKMT2AKDM4EDPP4

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 8 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-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
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 ALDH1A1 2048/4885GAA 1998/4885KMT2A 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.