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Sugi Predict / Compounds / SCHEMBL14740306

SCHEMBL14740306

SCHEMBL14740306

FC(F)(F)c1ccc(-n2nnnc2-c2c(-c3cc(Cl)ccc3Cl)nc3ccccn23)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1I3 Q14994 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ NPSR1 Q6W5P4 3/20 0.39
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ LMNA P02545 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ DPP4 P27487 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL14740335 0.91 LMNA (0.46) NR1I3ALDH1A1KDM4ENPSR1HTT
SCHEMBL18622355 0.87 NR1I3 (0.47) NR1I3ALDH1A1LMNAHSD17B10DPP4
SCHEMBL14740449 0.85 NR1I3 (0.45) NR1I3ALDH1A1KDM4ENPSR1HTT
SCHEMBL14739677 0.84 L3MBTL1 (0.40) ALDH1A1L3MBTL1KDM4ENPSR1HTT
SCHEMBL14739276 0.84 NR1I3 (0.43) NR1I3ALDH1A1KDM4ENPSR1HPGD
SCHEMBL14740191 0.84 NR1I3 (0.43) NR1I3ALDH1A1KDM4ENPSR1HPGD
SCHEMBL14739184 0.83 ALDH1A1 (0.50) NR1I3ALDH1A1NPSR1HTTLMNA
SCHEMBL14745122 0.78 KCNN4 (0.42) NR1I3ALDH1A1KDM4EDPP4
SCHEMBL14739635 0.78 L3MBTL1 (0.44) ALDH1A1L3MBTL1KDM4ENPSR1HTT
SCHEMBL14740234 0.76 ALDH1A1 (0.43) NR1I3ALDH1A1L3MBTL1KDM4ENPSR1

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 9 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 claimed
US-20130059845-A1 BICYCLIC AGONISTS OF GPR131 AND USES THEREOF METABOLEX, INC. 2013-03-07 — — US claimed
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
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 NR1I3 197/4885ALDH1A1 2048/4885L3MBTL1 4645/4885

“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.