SCHEMBL14752174

SCHEMBL14752174

N/N=C(\Nc1ccc(Cl)cc1)c1c(-c2cc(Cl)ccc2Cl)nc2ncccn12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 6/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GLA P06280 2/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHB2 P29323 1/20 0.41
NR1I3 Q14994 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ROCK2 O75116 1/20 0.41
GSK3B P49841 1/20 0.41
AURKB Q96GD4 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL14752139 0.93 MAPT (0.44) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14740346 0.83 SMN1; SMN2 (0.49) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14740345 0.83 SMN1; SMN2 (0.49) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14752208 0.80 EPHB2 (0.46) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14740056 0.79 ALDH1A1 (0.47) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14752175 0.78 NR1I3 (0.39) TP53GAAKDM4EALDH1A1RAB9A
SCHEMBL14739998 0.75 GAA (0.51) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14740230 0.75 GAA (0.51) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14739289 0.73 KDM4E (0.63) MAPTTP53GAAKDM4EALDH1A1
SCHEMBL14752141 0.71 POLB (0.43) MAPTTP53GAAKDM4EALDH1A1

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 4 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
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 MAPT 4300/4885TP53 4561/4885GAA 1998/4885

“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.