SCHEMBL4480478

SCHEMBL4480478

Cc1onc(-c2ccccc2)c1C(=O)c1sc(NC2CCCC2)c(C#N)c1N

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.52
MAPT P10636 5/20 0.52
POLB P06746 4/20 0.52
HSD17B10 Q99714 3/20 0.52
HTT P42858 3/20 0.52
GAA P10253 3/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
LMNA P02545 3/20 0.52
HPGD P15428 2/20 0.52
ALOX15 P16050 1/20 0.52
KDM4E B2RXH2 1/20 0.51
KCNH2 Q12809 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL4473958 0.87 ALDH1A1 (0.47) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL4484695 0.81 MELK (0.57) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL3824051 0.81 USP30 (0.44) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL4474819 0.81 MELK (0.48) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL4472280 0.81 ALDH1A1 (0.53) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL4467624 0.80 USP30 (0.43) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL4476324 0.80 ALDH1A1 (0.58) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL4475765 0.80 ALDH1A1 (0.65) ALDH1A1MAPTPOLBHTTGAA
SCHEMBL4472091 0.79 ALDH1A1 (0.47) ALDH1A1MAPTPOLBHSD17B10HTT
SCHEMBL4477934 0.78 ALDH1A1 (0.46) ALDH1A1MAPTPOLBHSD17B10HTT

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 10 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
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 ALDH1A1 802/4885MAPT 3524/4885POLB 248/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885MAPT 3524/4885POLB 248/4885

“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.