SCHEMBL98191

SCHEMBL98191

COc1ccc(C=O)c2c1N(CC(=O)OC(C)(C)C)C(=O)CC2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.34
▸ MTNR1B P49286 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CCKBR P32239 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32
▸ MET P08581 1/20 0.32
▸ LOXL2 Q9Y4K0 1/20 0.32

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
SCHEMBL98450 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AHPGDKDM4EATM
SCHEMBL97250 0.77 BRD4 (0.48) ALDH1A1KMT2AKDM4E
SCHEMBL97131 0.77 ALDH1A1 (0.43) ALDH1A1KMT2AHPGDKDM4E
SCHEMBL5297293 0.76 BRD4 (0.47) ALDH1A1KMT2AKDM4E
SCHEMBL5297286 0.76 BRD4 (0.46) ALDH1A1KMT2AKDM4E
SCHEMBL5289604 0.74 BRD4 (0.43) ALDH1A1KMT2AATM
SCHEMBL96332 0.73 ALDH1A1 (0.38) ALDH1A1KMT2AHPGDKDM4E
SCHEMBL9532098 0.72 PLA2G10 (0.40) ALDH1A1KMT2AHPGDKDM4ECCKBR
SCHEMBL5592121 0.67 PLA2G10 (0.39) ALDH1A1KMT2AHPGDKDM4ECCKBR
SCHEMBL98120 0.66 CYP11B1 (0.40) ALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 — — US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 — — EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 — — EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 — — US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 — — US disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 — — US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 — — EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 — — 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 (2 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-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 MTNR1A 460/4885MTNR1B 930/4885ALDH1A1 2458/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 MTNR1A 460/4885MTNR1B 930/4885ALDH1A1 2458/4885

“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.

Send feedback