SCHEMBL4205649

SCHEMBL4205649

CC(C)CNC(=O)C=Cc1n[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
HPGD P15428 1/20 0.51
AURKA O14965 2/20 0.43
MAPT P10636 2/20 0.42
TRPV1 Q8NER1 1/20 0.41
YTHDC1 Q96MU7 1/20 0.41
STAT3 P40763 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 3/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41

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
SCHEMBL4205645 1.00 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HPGDAURKA
SCHEMBL4197357 0.82 MMP1 (0.57) KDM4EALDH1A1SMN1; SMN2AURKAITK
SCHEMBL4197352 0.82 MMP1 (0.57) KDM4EALDH1A1SMN1; SMN2AURKAITK
SCHEMBL2132768 0.76 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2AURKAYTHDC1
SCHEMBL3131646 0.76 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2AURKAYTHDC1
SCHEMBL13924410 0.76 KDM4E (0.54) KDM4EALDH1A1SMN1; SMN2AURKAYTHDC1
SCHEMBL4197899 0.75 RAB9A (0.64) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL4197895 0.75 RAB9A (0.64) ALDH1A1SMN1; SMN2HPGDMAPTNPC1
SCHEMBL2945140 0.75 CHEK1 (0.48) KDM4EALDH1A1HPGDAURKAYTHDC1
SCHEMBL300191 0.75 CHEK1 (0.48) KDM4EALDH1A1HPGDAURKAYTHDC1

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
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US claimed
EP-1648448-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-04-01 EP disclosed
US-20080058515-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-03-06 US disclosed
EP-1648448-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-04-26 EP disclosed
WO-2005011681-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-02-10 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-20080058515-A1 Chemical Compounds SGK1, SGK2, SGK3 KDM4E 3115/4885ALDH1A1 2338/4885SMN1; SMN2 3237/4885

“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.