SCHEMBL22407085

SCHEMBL22407085

COC(=O)C(O)(Cn1cncn1)c1ccc(Oc2ccc(F)c(F)c2)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 13/20 0.44
CYP2C9 P11712 10/20 0.44
CYP2C19 P33261 10/20 0.44
LMNA P02545 2/20 0.44
HSP90AA1 P07900 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ADRA1A P35348 1/20 0.44
CYP51A1 Q16850 1/20 0.44
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40

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
SCHEMBL22407117 0.94 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL28390207 0.92 CYP3A4 (0.44) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL22406932 0.91 CYP2C9 (0.45) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL30141956 0.91 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL30141954 0.91 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL22406933 0.91 CYP3A4 (0.42) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL22406898 0.90 ALDH1A1 (0.45) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL22407030 0.90 CYP3A4 (0.47) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL22407031 0.89 ALDH1A1 (0.40) CYP3A4CYP2C9CYP2C19LMNAHSP90AA1
SCHEMBL22439709 0.89 CYP3A4 (0.47) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3712135-B1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE KUREHA CORP (JP) 2023-05-03 EP disclosed
CN-111032631-B Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2021-05-07 CN disclosed
US-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material KUREHA CORPORATION (JP) 2021-03-16 US disclosed
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL KUREHA CORPORATION (JP) 2020-09-17 US disclosed
CN-111032631-A Azole derivative, intermediate compound, process for producing azole derivative, agricultural and horticultural chemical, and industrial material protective agent 株式会社吴羽 2020-04-17 CN 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 (2 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-10945434-B2 Azole derivative, intermediate compound, method for producing azole derivative, agricultural or horticultural chemical agent, and protective agent for industrial material NOS2, NOS1, CYP51A1 CYP3A4 219/4885CYP2C9 48/4885CYP2C19 152/4885
US-20200288714-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGRICULTURAL OR HORTICULTURAL CHEMICAL AGENT, AND PROTECTIVE AGENT FOR INDUSTRIAL MATERIAL NOS2, NOS1, CYP51A1 CYP3A4 219/4885CYP2C9 48/4885CYP2C19 152/4885

“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.