Sugi Predict

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SCHEMBL4580418

SCHEMBL4580418

CC1(C)CC(=O)C2=C(C1)N(c1ccc(C#N)c(Br)c1)CCC2

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GAA P10253 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ TP53 P04637 1/20 0.32

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
SCHEMBL14252158 0.85 CYP11B2 (0.37) CYP11B2ALDH1A1KDM4EHPGDMAPT
SCHEMBL14292402 0.79 KDM4E (0.35) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL4581063 0.78 HSP90AA1 (0.41) CYP11B2ALDH1A1MAPT
SCHEMBL14252128 0.69 HSP90AA1 (0.45) MAPT
SCHEMBL4600194 0.69 HSP90AA1 (0.35) —
SCHEMBL1219867 0.69 KMT2A (0.63) CYP11B2ALDH1A1KDM4EMAPTMEN1
SCHEMBL4578462 0.68 CYP11B2 (0.46) CYP11B2ALDH1A1KDM4EMEN1KMT2A
SCHEMBL22548234 0.68 CA4 (0.57) CYP11B2ALDH1A1KDM4EHPGDMEN1
SCHEMBL29460659 0.68 CA4 (0.57) CYP11B2ALDH1A1KDM4EHPGDMEN1
SCHEMBL1220631 0.68 HSP90AA1 (0.55) CYP11B2

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 7 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
WO-2008024961-A1 DIHYDROPYRIDAZINE, TETRAHYDROPYRIDINE, CHROMANONE, AND DIHYDRONAPHTHALENONE DERIVATIVES AS HEAT-SHOCK PROTEIN 90 INHIBITORS SERENEX, INC. (US) 2008-02-28 — — WO 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 CYP11B2 293/4885ALDH1A1 143/4885KDM4E 1793/4885

“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.