SCHEMBL26091040

SCHEMBL26091040

OC1CCN(CC(O)(Cn2cncn2)c2ccc(F)cc2F)CC1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 16/20 0.74
CYP2C9 P11712 12/20 0.74
CYP2C19 P33261 12/20 0.74
LMNA P02545 2/20 0.74
HSP90AA1 P07900 1/20 0.74
CYP19A1 P11511 1/20 0.74
CYP11B1 P15538 1/20 0.74
CYP11B2 P19099 1/20 0.74
ADRA1A P35348 1/20 0.74
CYP51A1 Q16850 1/20 0.74
CYP2B6 P20813 1/20 0.48
CYP3A5 P20815 1/20 0.48
CYP3A7 P24462 1/20 0.48
MAPK1 P28482 1/20 0.48
CYP3A43 Q9HB55 1/20 0.48
CYP46A1 Q9Y6A2 1/20 0.48
CYP1A2 P05177 6/20 0.44
CYP2D6 P10635 6/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42

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
SCHEMBL26093778 0.91 CYP3A4 (0.73) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL30375160 0.86 CYP3A4 (0.64) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL5597261 0.86 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL5503188 0.86 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL29360276 0.86 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
Fluconazole SCHEMBL3151 0.86 CYP3A4 (1.00) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL29170451 0.86 CYP3A4 (0.76) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL20363980 0.86 CYP3A4 (0.76) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL26093884 0.85 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL26094512 0.85 CYP3A4 (0.65) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240424113-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2024-12-26 US disclosed
EP-4419531-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF Bright Angel Therapeutics Inc. (CA) 2024-08-28 EP disclosed
WO-2023065014-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2023-04-27 WO disclosed
WO-2023065014-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF BRIGHT ANGEL THERAPEUTICS INC. (CA) 2023-04-27 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-20240424113-A1 CONJUGATES COMPRISING ANTIFUNGALS AND HEAT SHOCK PROTEIN 90 (HSP90) INHIBITORS AND METHODS OF USE THEREOF HSP90AB1, HSP90B1, HSP90AA1 CYP3A4 1741/4885CYP2C9 1333/4885CYP2C19 1151/4885

“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.