SCHEMBL14740346

SCHEMBL14740346

NN=C(Nc1ccc(Cl)cc1)c1c(-c2cc(Cl)ccc2Cl)nc2ccccn12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
RAB9A P51151 4/20 0.49
KMT2A Q03164 3/20 0.49
NPC1 O15118 1/20 0.49
DPP4 P27487 1/20 0.45
ALDH1A1 P00352 4/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
GAA P10253 4/20 0.42
TP53 P04637 1/20 0.42
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL14740345 1.00 SMN1; SMN2 (0.49) SMN1; SMN2RAB9AKMT2ANPC1DPP4
SCHEMBL14739998 0.92 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1DPP4
SCHEMBL14740230 0.92 GAA (0.51) SMN1; SMN2RAB9AKMT2ANPC1DPP4
SCHEMBL14740016 0.84 SMN1; SMN2 (0.51) SMN1; SMN2RAB9AKMT2ANPC1DPP4
SCHEMBL14752174 0.83 MAPT (0.47) SMN1; SMN2RAB9AKMT2AALDH1A1MEN1
SCHEMBL14740111 0.82 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AKMT2ANPC1DPP4
SCHEMBL14740112 0.82 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AKMT2ANPC1DPP4
SCHEMBL14752213 0.82 SMN1; SMN2 (0.45) SMN1; SMN2RAB9AKMT2ANPC1DPP4
SCHEMBL14752175 0.80 NR1I3 (0.39) RAB9ANPC1ALDH1A1LMNAGAA
SCHEMBL14739948 0.79 DPP4 (0.50) SMN1; SMN2RAB9AKMT2ANPC1DPP4

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 5 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
EP-2750504-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC Therapeutics, Inc. (US) 2014-07-09 EP 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-2013033258-A1 ANTIBACTERIAL COMPOUNDS AND METHODS FOR USE PTC THERAPEUTICS, 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 SMN1; SMN2 3151/4885RAB9A 1654/4885KMT2A 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.