SCHEMBL96332

SCHEMBL96332

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ POLB P06746 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NFE2L2 Q16236 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CRHBP P24387 1/20 0.35
▸ CRHR2 Q13324 1/20 0.35
▸ TLR2 O60603 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ TLR1 Q15399 1/20 0.34
▸ TLR6 Q9Y2C9 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.33

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) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL14438069 0.80 KDM4E (0.41) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5297293 0.79 BRD4 (0.47) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL97250 0.77 BRD4 (0.48) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL96649 0.76 NPC1 (0.35) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL98006 0.76 PARP1 (0.32) ALDH1A1KDM4EHPGDGLAGAA
SCHEMBL5297286 0.75 BRD4 (0.46) ALDH1A1KDM4EGAAPOLBMAPT
SCHEMBL98191 0.73 MTNR1A (0.34) ALDH1A1KDM4EHPGDKMT2A
SCHEMBL97131 0.72 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBKMT2A
SCHEMBL5289604 0.72 BRD4 (0.43) ALDH1A1GAAPOLBMAPTKMT2A

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 ALDH1A1 2458/4885KDM4E 3919/4885HPGD 2322/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 ALDH1A1 2458/4885KDM4E 3919/4885HPGD 2322/4885

“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.

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