SCHEMBL4247958

SCHEMBL4247958

CC(C)(C)CCn1cnc2ccc(C=O)cc21

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.39
BRD4 O60885 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
FGFR1 P11362 1/20 0.38
CYP2A6 P11509 2/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B13 Q7Z5P4 2/20 0.37
HDAC8 Q9BY41 1/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
FDPS P14324 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
SCHEMBL13931440 0.84 HDAC1 (0.50) HDAC1BRD4MTNR1AMTNR1BTDP1
SCHEMBL5695756 0.81 HDAC1 (0.48) HDAC1FGFR1CYP2A6ALDH1A1MAPT
SCHEMBL5695731 0.81 MEN1 (0.57) BRD4MTNR1AMTNR1BTDP1FGFR1
SCHEMBL31265616 0.81 FDPS (0.43) HDAC1BRD4MTNR1AMTNR1BFGFR1
SCHEMBL28689236 0.81 POLB (0.39) HDAC1BRD4MTNR1AMTNR1BTDP1
SCHEMBL4242652 0.80 LMNA (0.53) HDAC1BRD4MTNR1AMTNR1BTDP1
SCHEMBL4243941 0.78 LMNA (0.59) HDAC1BRD4TDP1FGFR1LMNA
SCHEMBL28684427 0.77 POLB (0.55) HDAC1FGFR1CYP2A6POLBHDAC8
SCHEMBL3414135 0.77 HDAC1 (0.53) HDAC1TDP1FGFR1ALDH1A1MAPT
SCHEMBL4698311 0.76 MTNR1A (0.60) BRD4MTNR1AMTNR1BTDP1FGFR1

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-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-02-19 US disclosed
EP-1993536-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SmithKline Beecham Corporation (US) 2008-11-26 EP disclosed
US-20070249599-A1 Novel Chemical Compounds DUFFY KEVIN J 2007-10-25 US disclosed
WO-2007103755-A2 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-09-13 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 (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-20070249599-A1 Novel Chemical Compounds HIPK3, HIPK1, HIPK4 HDAC1 2582/4885BRD4 1126/4885MTNR1A 4139/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA HDAC1 1247/4885BRD4 1324/4885MTNR1A 2251/4885

“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.