SCHEMBL4564885

SCHEMBL4564885

CCOc1ccc(Nc2sc(C(=O)c3ccccc3)c(N)c2C#N)cc1

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.74
ALDH1A1 P00352 6/20 0.74
GAA P10253 1/20 0.74
HPGD P15428 2/20 0.70
MAPK1 P28482 2/20 0.70
HTT P42858 2/20 0.70
POLB P06746 2/20 0.67
LMNA P02545 6/20 0.64
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
ALOX12 P18054 1/20 0.62
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 2/20 0.58
CYP1A2 P05177 1/20 0.56
CYP2C19 P33261 1/20 0.56
MELK Q14680 1/20 0.53
TP53 P04637 1/20 0.51
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL3544100 0.92 ALDH1A1 (0.65) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL632951 0.90 LMNA (0.70) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4473381 0.89 ALDH1A1 (0.80) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4465844 0.87 ALDH1A1 (0.80) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL632022 0.86 ALDH1A1 (1.00) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4496937 0.85 MAPT (0.80) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL2132475 0.84 ALDH1A1 (0.74) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4484840 0.84 ALDH1A1 (0.74) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4512080 0.84 ALDH1A1 (0.71) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4484013 0.82 ALDH1A1 (0.79) MAPTALDH1A1GAAHPGDMAPK1

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 2 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 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 (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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A MAPT 3524/4885ALDH1A1 802/4885GAA 77/4885

“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.