Sugi Predict

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SCHEMBL4487871

SCHEMBL4487871

COc1ccc(Nc2sc(C(=O)c3cc(OC)ccc3OC)c(N)c2C#N)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.55
▸ ALDH1A1 P00352 6/20 0.54
▸ KMT2A Q03164 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ HPGD P15428 2/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ POLB P06746 4/20 0.54
▸ MELK Q14680 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ MAPK1 P28482 2/20 0.52
▸ HTT P42858 2/20 0.52
▸ LMNA P02545 5/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ RAB9A P51151 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TUBB8B A6NNZ2 1/20 0.44
▸ TUBB4A P04350 1/20 0.44
▸ TUBB P07437 1/20 0.44

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
SCHEMBL4474619 0.92 ALDH1A1 (0.56) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL631695 0.92 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL13633907 0.90 ALDH1A1 (0.54) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4476854 0.89 MELK (0.49) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL2134407 0.87 MELK (0.66) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4510163 0.86 LMNA (0.62) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL2132475 0.85 ALDH1A1 (0.74) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4470139 0.84 MELK (0.59) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL631443 0.84 ALDH1A1 (0.49) MAPTALDH1A1KMT2AMEN1HPGD
SCHEMBL4466089 0.84 LMNA (0.52) MAPTALDH1A1HPGDPOLBMELK

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 802/4885KMT2A 2234/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MAPT 3524/4885ALDH1A1 802/4885KMT2A 2234/4885

“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.