SCHEMBL3517449

SCHEMBL3517449

CCC1C(=O)N(C)c2cc(O)ccc2N(CC)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
KDM4E B2RXH2 5/20 0.42
HPGD P15428 1/20 0.42
DYRK3 O43781 1/20 0.36
CSNK1E P49674 1/20 0.36
CLK1 P49759 1/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
DYRK2 Q92630 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK4 Q9NR20 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
USP2 O75604 1/20 0.36
EGFR P00533 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GAA P10253 4/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3518150 0.91 DYRK3 (0.40) ALDH1A1KDM4EHPGDDYRK3CSNK1E
SCHEMBL3519468 0.82 USP2 (0.49) ALDH1A1KDM4EHPGDCSNK1ECLK1
SCHEMBL12085466 0.79 KDM4E (0.46) ALDH1A1KDM4EHPGDEGFRNR1H2
SCHEMBL9893434 0.74 BRD4 (0.39) ALDH1A1DYRK3CSNK1ECLK1CLK2
SCHEMBL3516991 0.72 CNR1 (0.42) DYRK3CSNK1ECLK1CLK2CLK3
SCHEMBL3520343 0.72 USP2 (0.53) ALDH1A1KDM4EHPGDCSNK1ECLK1
SCHEMBL3519290 0.71 CNR1 (0.41) ALDH1A1DYRK3CSNK1ECLK1CLK2
SCHEMBL3516032 0.70 GAA (0.41) ALDH1A1DYRK3CSNK1ECLK1CLK2
SCHEMBL10336238 0.69 F2 (0.42) ALDH1A1KDM4EHPGDUSP2GAA
SCHEMBL3521032 0.68 CNR1 (0.46) ALDH1A1DYRK3CSNK1ECLK1CLK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2254873-B1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMA CO LTD (JP) 2014-06-04 EP disclosed
US-8664217-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. 2013-02-14 US disclosed
US-8338406-B2 Benzodiazepine compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-12-25 US disclosed
US-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-12-30 US 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-20100331317-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 ALDH1A1 1848/4885KDM4E 1086/4885HPGD 2156/4885
US-20130040941-A1 BENZODIAZEPINE COMPOUND AND PHARMACEUTICAL COMPOSITION KCNA5, KCNA1, KCNAB1 ALDH1A1 1848/4885KDM4E 1086/4885HPGD 2156/4885

“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.