Sugi Predict

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SCHEMBL4480166

SCHEMBL4480166

COc1ccc(Nc2sc(C(=O)c3cccc(Cl)c3)c(N)c2C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.62
▸ ALDH1A1 P00352 7/20 0.62
▸ GAA P10253 2/20 0.62
▸ HPGD P15428 2/20 0.59
▸ MAPK1 P28482 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ KMT2A Q03164 5/20 0.57
▸ MEN1 O00255 4/20 0.57
▸ ALOX12 P18054 1/20 0.57
▸ POLB P06746 4/20 0.57
▸ MELK Q14680 2/20 0.57
▸ RAB9A P51151 1/20 0.56
▸ LMNA P02545 6/20 0.54
▸ CDK5 Q00535 1/20 0.51
▸ CDK5R1 Q15078 1/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL4474419 0.90 ALDH1A1 (0.66) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4481501 0.88 ALDH1A1 (0.67) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL632367 0.88 ALDH1A1 (0.67) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4473381 0.88 ALDH1A1 (0.80) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL2132475 0.86 ALDH1A1 (0.74) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4476409 0.86 ALDH1A1 (0.77) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4496937 0.83 MAPT (0.80) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4512080 0.82 ALDH1A1 (0.71) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL4476614 0.82 MAPT (0.58) MAPTALDH1A1GAAHPGDMAPK1
SCHEMBL2133842 0.82 MELK (0.70) 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 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 MAPT 3524/4885ALDH1A1 802/4885GAA 77/4885
US-20060041006-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.