SCHEMBL22406889

SCHEMBL22406889

CC(=O)c1ccc(Oc2ccc(Cl)c(F)c2)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.48
MAOA P21397 1/20 0.48
CHEK2 O96017 1/20 0.43
SCN9A Q15858 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
KMO O15229 1/20 0.41
HTR2A P28223 3/20 0.41
SLC6A4 P31645 3/20 0.41
KCNH2 Q12809 3/20 0.41
HSP90AA1 P07900 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40
SOS1 Q07889 1/20 0.40
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
JAK2 O60674 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
SCHEMBL22406973 0.91 MAOB (0.51) MAOBMAOASCN9ASOS1ALDH1A1
SCHEMBL22406996 0.87 HSP90AA1 (0.53) MAOBMAOACHEK2SCN9AKMO
SCHEMBL22406783 0.87 MAOB (0.45) MAOBMAOASCN9AKMOSOS1
SCHEMBL22439750 0.83 PPARG (0.44) CHEK2SCN9APPARGPPARAKMO
SCHEMBL22407112 0.82 CHEK2 (0.42) CHEK2SCN9APPARGPPARAKMO
SCHEMBL4117335 0.82 MAOA (0.50) MAOBMAOAALDH1A1CYP3A4HPGD
SCHEMBL29351910 0.82 MAOA (0.50) MAOBMAOAALDH1A1CYP3A4HPGD
SCHEMBL22407088 0.81 MAPK1 (0.53) KCNH2ALDH1A1CYP3A4HPGDMAPK1
SCHEMBL14636173 0.80 LMNA (0.47) MAOBMAOASCN9AHTR2ASLC6A4
SCHEMBL22407068 0.79 MAOB (0.68) MAOBMAOAALDH1A1HPGD

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 1554/4885CHEK2 3894/4885
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 1554/4885CHEK2 3894/4885

“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.