SCHEMBL98006

SCHEMBL98006

COc1ccc(C=O)c2c1N(C1CCC(C)C1)C(=O)CC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.32
▸ ALDH1A1 P00352 5/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ POLB P06746 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MEN1 O00255 1/20 0.30

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
SCHEMBL96332 0.76 ALDH1A1 (0.38) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL98450 0.73 ALDH1A1 (0.37) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL97250 0.68 BRD4 (0.48) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL96649 0.67 NPC1 (0.35) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5297293 0.67 BRD4 (0.47) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL5297286 0.67 BRD4 (0.46) ALDH1A1KDM4EGAAPOLBKMT2A
SCHEMBL98191 0.65 MTNR1A (0.34) ALDH1A1KDM4EHPGDKMT2A
SCHEMBL97131 0.64 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDPOLBNPC1
SCHEMBL12035686 0.62 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL19337380 0.62 ALDH1A1 (0.46) ALDH1A1KDM4EGLAGAAHPGD

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 PARP1 3173/4885ALDH1A1 2458/4885KDM4E 3919/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 PARP1 3173/4885ALDH1A1 2458/4885KDM4E 3919/4885

“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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