SCHEMBL22407068

SCHEMBL22407068

CC(=O)c1ccc(Oc2ccc(Cl)cc2)cc1F

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.68
MAOA P21397 2/20 0.68
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
P2RX3 P56373 3/20 0.43
LMNA P02545 2/20 0.43
TLR8 Q9NR97 1/20 0.43
PNLIP P16233 1/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.43
BRAF P15056 1/20 0.42
HDAC1 Q13547 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 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
SCHEMBL6149918 0.87 MAOB (0.66) MAOBMAOAMAPTRAB9AHPGD
SCHEMBL17996051 0.84 P2RX3 (0.55) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL11544488 0.84 MAOB (0.50) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL4117335 0.83 MAOA (0.50) MAOBMAOAPNLIPMAPTRAB9A
SCHEMBL29351910 0.83 MAOA (0.50) MAOBMAOAPNLIPMAPTRAB9A
SCHEMBL5255602 0.83 MAOB (0.52) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL5260362 0.83 MAOB (0.49) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL22439721 0.83 CYP11B1 (0.48) MAOBMAOACYP11B1CYP11B2P2RX3
SCHEMBL22406973 0.83 MAOB (0.51) MAOBMAOAMAPTRAB9AHPGD
SCHEMBL15756967 0.82 MAOA (0.49) MAOBMAOAPNLIPMAPTRAB9A

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
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
EP-3712135-A1 AZOLE DERIVATIVE, INTERMEDIATE COMPOUND, METHOD FOR PRODUCING AZOLE DERIVATIVE, AGENT FOR AGRICULTURAL AND HORTICULTURAL USE, AND MATERIAL PROTECTION AGENT FOR INDUSTRIAL USE Kureha Corporation (JP) 2020-09-23 EP 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 MAOB 1861/4885MAOA 1554/4885CYP11B1 24/4885
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 MAOB 1861/4885MAOA 1554/4885CYP11B1 24/4885

“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.