SCHEMBL334386

SCHEMBL334386

COC(=O)Cc1cccc(OCCBr)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC7A5 Q01650 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PLA2G4B P0C869 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
GFER P55789 1/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CTBP2 P56545 1/20 0.43
HSP90AB1 P08238 1/20 0.42
NR1H3 Q13133 1/20 0.42
POLB P06746 2/20 0.42
GLS O94925 1/20 0.42

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
SCHEMBL3868045 0.93 SLC7A5 (0.47) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL28588436 0.87 KMT2A (0.55) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL3334714 0.87 ALDH1A1 (0.51) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL7397992 0.86 L3MBTL1 (0.53) ALDH1A1PLA2G4BMAPK1L3MBTL1TSHR
SCHEMBL7804122 0.85 PLA2G4B (0.60) ALDH1A1GAAKDM4EPLA2G4B
SCHEMBL2767522 0.85 SLC7A5 (0.48) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL1997596 0.85 SLC7A5 (0.48) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL2768717 0.85 SLC7A5 (0.48) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL3984588 0.84 SLC7A5 (0.50) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL4591522 0.84 KDM4E (0.52) SLC7A5SMN1; SMN2ALDH1A1GAAKDM4E

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-11365192-B2 Pyridine compound substituted with azole TAISHO PHARMACEUTICAL CO., LTD. (JP) 2022-06-21 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
US-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE TAISHO PHARMACEUTICAL CO., LTD (JP) 2021-04-29 US disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
EP-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed
CN-110914254-A Azole-substituted pyridine compound 大正制药株式会社 2020-03-24 CN disclosed
US-8097610-B2 Derivative having PPAR agonistic activity SHIONOGI & CO., LTD. (JP) 2012-01-17 US disclosed
US-20090286974-A1 Derivative having ppar agonistic activity SHIONOGI & CO., LTD. (JP) 2009-11-19 US disclosed
US-20090118263-A1 Novel Adenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-05-07 US disclosed
US-20080269240-A1 Novel Adenine Compound Dainippon Sumitomo Pharma Co., Ltd. a corporation of Japan (JP) 2008-10-30 US disclosed
EP-1939199-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP disclosed
EP-1939189-A1 DERIVATIVE HAVING PPAR AGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2008-07-02 EP disclosed
EP-1939202-A1 NOVEL ADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-07-02 EP 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 (5 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-20210122741-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE CYP2C19, CYP4A11, CYP11B1 SLC7A5 1193/4885SMN1; SMN2 4813/4885ALDH1A1 378/4885
US-20080269240-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 SLC7A5 129/4885SMN1; SMN2 1745/4885ALDH1A1 97/4885
US-11365192-B2 Pyridine compound substituted with azole CYP2C19, CYP4A11, CYP11B1 SLC7A5 1193/4885SMN1; SMN2 4813/4885ALDH1A1 378/4885
US-20090286974-A1 Derivative having ppar agonistic activity PPARD, PPARA, PPARG SLC7A5 1410/4885SMN1; SMN2 4505/4885ALDH1A1 1821/4885
US-20090118263-A1 Novel Adenine Compound ADORA1, ADORA2A, ADORA3 SLC7A5 759/4885SMN1; SMN2 1327/4885ALDH1A1 115/4885

“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.