SCHEMBL3519286

SCHEMBL3519286

CCN1C(=O)C(C)(C)C(=O)N(CC)c2cc(OC)ccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HPGD P15428 3/20 0.46
GLA P06280 1/20 0.46
HIF1A Q16665 1/20 0.46
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
USP2 O75604 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
KCNA5 P22460 3/20 0.43
KCNJ5 P48544 3/20 0.43
KCNJ3 P48549 3/20 0.43
HSD17B10 Q99714 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
NPSR1 Q6W5P4 3/20 0.42
PIM1 P11309 2/20 0.42
CSNK1D P48730 2/20 0.42
CSNK1E P49674 2/20 0.42
CLK1 P49759 2/20 0.42

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
SCHEMBL3519106 0.91 KCNA5 (0.48) ALDH1A1KDM4EKCNA5KCNJ5KCNJ3
SCHEMBL3520270 0.91 KCNA5 (0.43) ALDH1A1KDM4EHPGDGLAHIF1A
SCHEMBL3517457 0.86 ELANE (0.53) ALDH1A1KDM4EHPGDGLAHIF1A
SCHEMBL3517917 0.81 KCNA5 (0.47) ALDH1A1KDM4EOPRM1OPRL1TDP1
SCHEMBL3516431 0.79 USP2 (0.45) ALDH1A1KDM4EHPGDGLAHIF1A
SCHEMBL9893372 0.79 KCNA5 (0.50) KCNA5KCNJ5KCNJ3ELANE
SCHEMBL3521968 0.79 ELANE (0.48) ALDH1A1KDM4EHPGDGLAHIF1A
SCHEMBL3520343 0.78 USP2 (0.53) ALDH1A1KDM4EHPGDGLAHIF1A
SCHEMBL3521032 0.78 CNR1 (0.46) ALDH1A1KCNA5KCNJ5KCNJ3KMT2A
SCHEMBL3519128 0.76 MAPT (0.49) ALDH1A1KDM4EOPRM1OPRL1KCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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.