SCHEMBL4665015

SCHEMBL4665015

CC(C)(C)OC(=O)N1CCC(c2n[nH]c3c(Br)cc(Br)nc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
MAPT P10636 2/20 0.47
THRB P10828 2/20 0.47
HTT P42858 2/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CNR1 P21554 2/20 0.42
KCNH2 Q12809 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
TSHR P16473 2/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPSR1 Q6W5P4 3/20 0.40
IGF1R P08069 1/20 0.40

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
SCHEMBL5009863 0.88 KDM4E (0.43) KDM4EMAPTTHRBHTTMEN1
SCHEMBL4664959 0.83 KDM4E (0.47) KDM4EMAPTTHRBHTTMEN1
SCHEMBL5011577 0.83 KDM4E (0.43) KDM4EMAPTTHRBHTTMEN1
SCHEMBL4664867 0.80 KDM4E (0.43) KDM4EMAPTTHRBHTTMEN1
SCHEMBL5007575 0.80 KDM4E (0.40) KDM4EMAPTTHRBHTTMEN1
SCHEMBL29688763 0.79 KDM4E (0.48) KDM4EMAPTTHRBHTTMEN1
SCHEMBL20135394 0.79 KDM4E (0.48) KDM4EMAPTTHRBHTTMEN1
SCHEMBL3395473 0.75 KDM4E (0.44) KDM4EMAPTTHRBHTTMEN1
SCHEMBL5007717 0.75 HTT (0.48) KDM4EMAPTTHRBHTTMEN1
SCHEMBL31602545 0.74 JAK2 (0.47) KDM4EMAPTTHRBHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 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 (1 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 KDM4E 1073/4885MAPT 4435/4885THRB 1728/4885

“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.