Sugi Predict

Sugi Predict / Compounds / SCHEMBL4580799

SCHEMBL4580799

SCHEMBL4580799

N#Cc1ccc(-c2cccc3c2CCCC3=O)cc1NC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 2/20 0.38
▸ JAK1 P23458 1/20 0.36
▸ JAK3 P52333 1/20 0.36
▸ S1PR1 P21453 1/20 0.35
▸ FGFR4 P22455 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TBK1 Q9UHD2 8/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ PRKCD Q05655 1/20 0.34
▸ PDE1A P54750 1/20 0.33
▸ PDE1B Q01064 1/20 0.33

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
SCHEMBL4581277 0.82 HSP90AA1 (0.44) JAK1JAK3
SCHEMBL14252126 0.80 KCNJ1 (0.37) L3MBTL1CYP1A2CYP3A4CLK4
SCHEMBL4578838 0.74 CYP11B1 (0.46) L3MBTL1
SCHEMBL4580535 0.72 FGFR4 (0.39) GRM2FGFR4TBK1
SCHEMBL4580776 0.69 PRKCQ (0.43) GRM2MEN1KMT2AL3MBTL1PRKCQ
SCHEMBL4726704 0.69 KMT2A (0.45) JAK1JAK3MEN1KMT2AL3MBTL1
SCHEMBL4581082 0.67 PRKCQ (0.40) JAK1JAK3MEN1KMT2AL3MBTL1
SCHEMBL1872875 0.67 MAOB (0.46) L3MBTL1
SCHEMBL29741207 0.67 MAOB (0.46) L3MBTL1
SCHEMBL4580699 0.66 HSP90AA1 (0.40) GRM2TBK1PRKCQPRKCD

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 — — US claimed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 — — US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 — — US disclosed
US-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives SERENEX, INC. 2008-03-20 — — US disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 — — WO disclosed
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 — — WO 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-20080070918-A1 Dihydropyridazine, Tetrahydropyridine, Chromanone, and Dihydronaphthalenone Derivatives QDPR, CCND2, CCND1 GRM2 3924/4885JAK1 692/4885JAK3 520/4885

“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.