SCHEMBL2022437

SCHEMBL2022437

Nc1ccc(Cn2oc(=O)[nH]c2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
CYP3A4 P08684 3/20 0.41
GRM5 P41594 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
FOLH1 Q04609 1/20 0.41
GRM1 Q13255 1/20 0.41
GRM3 Q14832 1/20 0.41
HIF1A Q16665 1/20 0.41
SLC7A11 Q9UPY5 1/20 0.41
GRM2 Q14416 1/20 0.40
FFAR1 O14842 1/20 0.39
PLAT P00750 4/20 0.39

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
SCHEMBL8545723 0.86 FFAR1 (0.41) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL8304003 0.82 DAO (0.50) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL8550945 0.81 FFAR1 (0.46) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL8546551 0.81 FFAR1 (0.46) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL8551552 0.80 PLAT (0.40) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL8550088 0.80 PLAT (0.38) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL8550218 0.79 FFAR1 (0.40) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL8549621 0.79 FFAR1 (0.54) ALDH1A1CYP3A4GRM5TDP1KDM4E
Hydrochloric Acid SCHEMBL2909447 0.79 GABRP (0.40) ALDH1A1CYP3A4GRM5TDP1KDM4E
SCHEMBL7218821 0.78 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1CYP2C19KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968552-B2 Oxadiazolidinedione compound ASTELLAS PHARMA INC. (JP) 2011-06-28 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND ASTELLAS PHARMA INC. (JP) 2010-10-21 US disclosed
EP-2216330-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2010-08-11 EP disclosed
US-20090186909-A1 Oxadiazolidinedione Compound ASTELLAS PHARMA INC. (JP) 2009-07-23 US disclosed
EP-2011788-A1 OXADIAZOLIDINEDIONE COMPOUND Astellas Pharma Inc. (JP) 2009-01-07 EP disclosed
US-6531604-B2 Useful as medicines having an osteogenesis promoting effect and chondrogensis promoting effect. TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2003-03-11 US disclosed
US-20020128308-A1 Benzothiepine derivatives, their production and use YASUMA TSUNEO (JP) 2002-09-12 US disclosed
US-6355672-B1 BONE DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-03-12 US disclosed
EP-1103552-A1 BENZOTHIEPIN DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2001-05-30 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 (3 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-20020128308-A1 Benzothiepine derivatives, their production and use APP, BMP1, BACE1 ALDH1A1 3170/4885CYP3A4 847/4885GRM5 4155/4885
US-20090186909-A1 Oxadiazolidinedione Compound GPR119, GPR39, GPR65 ALDH1A1 3249/4885CYP3A4 2582/4885GRM5 151/4885
US-20100267775-A1 OXADIAZOLIDINEDIONE COMPOUND GPR119, GLP1R, GPR4 ALDH1A1 2370/4885CYP3A4 2683/4885GRM5 236/4885

“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.