SCHEMBL14740348

SCHEMBL14740348

O=Cc1c(-c2cc(Cl)ccc2Cl)nc2ccccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.53
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
KDM4E B2RXH2 5/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
DPP4 P27487 1/20 0.49
GAA P10253 4/20 0.46
GLA P06280 3/20 0.46
HPGD P15428 3/20 0.46
POLB P06746 3/20 0.46
NPSR1 Q6W5P4 2/20 0.46
HSD17B10 Q99714 1/20 0.46
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44

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
SCHEMBL14740454 0.82 DPP4 (0.45) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14740453 0.82 DPP4 (0.45) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14739452 0.82 ALDH1A1 (0.37) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL1430465 0.81 NPC1 (0.74) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14740783 0.78 DPP4 (0.48) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14739948 0.77 DPP4 (0.50) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL19807760 0.76 ALDH1A1 (0.53) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14739621 0.75 NR1I3 (0.45) ALDH1A1RAB9AGAAGLAHPGD
SCHEMBL13470781 0.75 ALDH1A1 (0.58) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL14763696 0.75 RAB9A (0.49) ALDH1A1NPC1RAB9AKDM4ESMN1; SMN2

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 2048/4885NPC1 857/4885RAB9A 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.