Sugi Predict

Sugi Predict / Compounds / SCHEMBL4510163

SCHEMBL4510163

SCHEMBL4510163

COc1ccc(Nc2sc(C(=O)c3ccc(C)cc3C)c(N)c2C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.62
▸ MAPT P10636 6/20 0.61
▸ ALDH1A1 P00352 4/20 0.60
▸ POLB P06746 3/20 0.60
▸ KMT2A Q03164 3/20 0.55
▸ HPGD P15428 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ MELK Q14680 2/20 0.55
▸ GAA P10253 1/20 0.52
▸ MAPK1 P28482 2/20 0.50
▸ HTT P42858 1/20 0.50
▸ RAB9A P51151 1/20 0.49
▸ TP53 P04637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KLK7 P49862 1/20 0.46

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
SCHEMBL4488432 0.91 ALDH1A1 (0.64) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL4487871 0.86 MAPT (0.55) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL631695 0.86 ALDH1A1 (0.54) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL2132475 0.85 ALDH1A1 (0.74) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL4469431 0.83 MAPT (0.55) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL4476614 0.81 MAPT (0.58) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL632367 0.81 ALDH1A1 (0.67) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL2133842 0.81 MELK (0.70) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL4473082 0.81 ALDH1A1 (0.85) LMNAMAPTALDH1A1POLBKMT2A
SCHEMBL4481501 0.81 ALDH1A1 (0.67) LMNAMAPTALDH1A1POLBKMT2A

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 8 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

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 LMNA 2349/4885MAPT 3524/4885ALDH1A1 802/4885

“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.