SCHEMBL3853232

SCHEMBL3853232

CC(C)CNc1sc(C(=O)c2cc(-c3ccc(N)cc3)no2)c(N)c1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.39
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
LMNA P02545 3/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 2/20 0.35
TP53 P04637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
RET P07949 4/20 0.34
HPGD P15428 2/20 0.33
KDM4E B2RXH2 2/20 0.33
FYN P06241 1/20 0.33
IKBKE Q14164 1/20 0.33
TBK1 Q9UHD2 1/20 0.33
CSGALNACT1 Q8TDX6 4/20 0.33
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL3824983 0.92 MAPT (0.41) MELKSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4484744 0.89 NPC1 (0.43) MELKSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL13711814 0.88 MELK (0.40) MELKSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL3851392 0.86 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1LMNAPOLB
SCHEMBL3824968 0.85 MELK (0.46) MELKKMT2AMAPTALDH1A1KDM4E
SCHEMBL3818041 0.80 KDM4E (0.37) MELKRAB9ANPC1LMNAKMT2A
SCHEMBL4464972 0.79 MELK (0.42) MELKSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4468601 0.77 MELK (0.48) MELKPOLBKMT2AMAPTALDH1A1
SCHEMBL4466525 0.77 MELK (0.43) MELKSMN1; SMN2RAB9ANPC1LMNA
SCHEMBL4469876 0.76 MELK (0.45) MELKRAB9ANPC1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 US disclosed
EP-1742627-A4 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2009-08-26 EP disclosed
EP-1742627-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2007-01-17 EP disclosed
WO-2006078287-A9 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON INC (US) 2006-08-31 WO disclosed
WO-2006078287-A2 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. (US) 2006-07-27 WO disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 US 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A MELK 3735/4885SMN1; SMN2 1379/4885RAB9A 1343/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885SMN1; SMN2 1379/4885RAB9A 1343/4885

“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.