SCHEMBL6407612

SCHEMBL6407612

CCOc1ccc(OCC)c2[nH]cnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 1/20 0.39
ABL1 P00519 1/20 0.39
RAD52 P43351 1/20 0.39
RIN1 Q13671 1/20 0.39
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
HPGD P15428 2/20 0.35
CSNK2A2 P19784 2/20 0.35
CSNK2A1 P68400 2/20 0.35
RAB9A P51151 1/20 0.35
CSNK2B P67870 1/20 0.35
DYRK1A Q13627 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
SCHEMBL2272157 0.76 ABL1 (0.53) KDM4EHSD17B10SMN1; SMN2TSHRABL1
SCHEMBL12894974 0.74 DRD2 (0.54) KDM4EMAPK1SMN1; SMN2ABL1RAD52
SCHEMBL10696476 0.74 BRD4 (0.47) KDM4EHSD17B10SMN1; SMN2TSHRLMNA
SCHEMBL31588180 0.73 DRD2 (0.52) KDM4EMAPK1SMN1; SMN2ABL1RAD52
SCHEMBL8047422 0.70 KDM4E (0.44) KDM4EMAPK1HSD17B10SMN1; SMN2TSHR
SCHEMBL24392378 0.69 PARP1 (0.59) KDM4ESMN1; SMN2ABL1RAD52RIN1
SCHEMBL2273204 0.67 ABL1 (0.47) SMN1; SMN2TSHRABL1RAD52RIN1
SCHEMBL2273213 0.67 ABL1 (0.47) SMN1; SMN2ABL1RAD52RIN1ALDH1A1
SCHEMBL11479180 0.65 ALDH1A1 (0.50) KDM4EMAPK1HSD17B10SMN1; SMN2TSHR
SCHEMBL27147455 0.63 LRRK2 (0.45) KDM4ESMN1; SMN2LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors SMITHKLINE BEECHAM CORPORATION 2005-05-19 US disclosed
EP-1411933-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SmithKline Beecham Corporation (US) 2004-04-28 EP disclosed
WO-2003013518-A1 ALPHA-KETOAMIDE DERIVATIVES AS CATHEPSIN K INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-02-20 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-20050107616-A1 Alpha-ketoamide derivatives as cathepsin k inhibitors CTSK, CTSE, CTSZ KDM4E 258/4885MAPK1 3649/4885HSD17B10 873/4885

“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.