SCHEMBL4240339

SCHEMBL4240339

CC(C)(C)CCn1cnc2ccc(CO)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
HSD17B13 Q7Z5P4 2/20 0.38
HTT P42858 3/20 0.37
KCNH2 Q12809 1/20 0.37
LMNA P02545 3/20 0.36
CYP11B1 P15538 2/20 0.35
CYP11B2 P19099 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FDPS P14324 1/20 0.35
IDO1 P14902 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL4245802 0.78 LMNA (0.60) TDP1HTTLMNA
SCHEMBL4698311 0.77 MTNR1A (0.60) TDP1MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL4336512 0.77 DYRK1A (0.47) TDP1MAPTALDH1A1POLBHTT
SCHEMBL29340890 0.77 POLB (0.56) MAPTPOLBHTTKCNH2LMNA
SCHEMBL4247958 0.76 HDAC1 (0.39) TDP1MTNR1AMTNR1BMAPTALDH1A1
SCHEMBL13233290 0.75 TDP1 (0.70) TDP1MAPTHTTLMNACYP11B1
SCHEMBL5630090 0.73 PRPS1 (0.43) TDP1MAPTALDH1A1POLBHSD17B13
SCHEMBL11976845 0.72 MAPK1 (0.53) ALDH1A1HTTKCNH2LMNACYP11B1
SCHEMBL3437991 0.72 NPC1 (0.55) MAPTALDH1A1HTTLMNAMEN1
SCHEMBL6041792 0.70 BRD4 (0.36) MTNR1AMTNR1BHTTKCNH2LMNA

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-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
EP-1718642-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-08 EP disclosed
WO-2005082901-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-09-09 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 TDP1 729/4885MTNR1A 4139/4885MTNR1B 4341/4885
US-20090048252-A1 THIAZOLONES FOR USE AS PI3 KINASE INHIBITORS PIK3CA, BTK, PI4KA TDP1 549/4885MTNR1A 2251/4885MTNR1B 2160/4885

“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.