Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487008

SCHEMBL4487008

SCHEMBL4487008

COc1ccc(CNc2sc(C(=O)c3c(-c4ccccc4)noc3C)c(N)c2C#N)cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.51
▸ HSD17B10 Q99714 6/20 0.51
▸ MELK Q14680 1/20 0.46
▸ HPGD P15428 5/20 0.44
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 4/20 0.44
▸ HTT P42858 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ GAA P10253 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ KDM4E B2RXH2 7/20 0.43
▸ MCOLN3 Q8TDD5 1/20 0.43
▸ TSHR P16473 4/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL4478111 0.81 MELK (0.51) ALDH1A1HSD17B10MELKMAPTLMNA
SCHEMBL4472280 0.80 ALDH1A1 (0.53) ALDH1A1HSD17B10MELKHPGDMAPT
SCHEMBL4472091 0.79 ALDH1A1 (0.47) ALDH1A1HSD17B10MELKHPGDMAPT
SCHEMBL4488380 0.78 MELK (0.52) ALDH1A1MELKHPGDMAPTLMNA
SCHEMBL4471685 0.78 NPC1 (0.48) ALDH1A1MELKHPGDMAPTLMNA
SCHEMBL4477934 0.77 ALDH1A1 (0.46) ALDH1A1HSD17B10MELKHPGDMAPT
SCHEMBL4474819 0.77 MELK (0.48) ALDH1A1HSD17B10MELKHPGDMAPT
SCHEMBL4475851 0.76 MELK (0.54) ALDH1A1MELKMAPTLMNAPOLB
SCHEMBL4480478 0.76 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDMAPTLMNA
SCHEMBL4484695 0.76 MELK (0.57) ALDH1A1HSD17B10MELKHPGDMAPT

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 802/4885HSD17B10 150/4885MELK 3735/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885HSD17B10 150/4885MELK 3735/4885

“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.