SCHEMBL4581277

SCHEMBL4581277

NC(=O)c1ccc(-c2cccc3c2CCCC3=O)cc1NC1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 16/20 0.44
HSP90AB1 P08238 3/20 0.44
BRD4 O60885 1/20 0.39
JAK1 P23458 2/20 0.39
JAK3 P52333 2/20 0.39
HSP90B1 P14625 1/20 0.39
TRAP1 Q12931 1/20 0.39

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
SCHEMBL4580799 0.82 GRM2 (0.38) JAK1JAK3
SCHEMBL14252157 0.81 BRD4 (0.45) HSP90AA1HSP90AB1BRD4
SCHEMBL12819928 0.72 HSP90AA1 (0.45) HSP90AA1HSP90AB1JAK1JAK3HSP90B1
SCHEMBL4582034 0.72 HSP90AA1 (0.48) HSP90AA1HSP90AB1JAK1JAK3HSP90B1
SCHEMBL12191238 0.71 JAK2 (0.52) HSP90AA1HSP90AB1JAK1JAK3HSP90B1
SCHEMBL1220618 0.70 KDM4E (0.51) HSP90AA1HSP90AB1JAK1JAK3
SCHEMBL2427377 0.70 CREBBP (0.51) HSP90AA1HSP90AB1JAK1JAK3
SCHEMBL30853881 0.69 BRD4 (0.52) BRD4
SCHEMBL1747367 0.69 HSP90AA1 (0.62) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL12820674 0.68 HSP90AA1 (0.88) HSP90AA1HSP90AB1HSP90B1TRAP1

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 HSP90AA1 2362/4885HSP90AB1 2403/4885BRD4 272/4885

“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.