SCHEMBL22407094

SCHEMBL22407094

COC(=O)C(O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.50
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 1/20 0.46
HSP90AA1 P07900 2/20 0.42
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
POLB P06746 2/20 0.39
MAPK14 Q16539 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP19A1 P11511 1/20 0.37
RAB9A P51151 1/20 0.36
ATM Q13315 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
P2RX3 P56373 1/20 0.36

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
SCHEMBL22406831 0.90 HSP90AA1 (0.52) KMT2ACYP3A4ALDH1A1HSP90AA1TSHR
SCHEMBL28391179 0.89 KMT2A (0.44) KMT2ACYP3A4ALDH1A1TSHRP2RX3
SCHEMBL22407048 0.89 KMT2A (0.44) KMT2ACYP3A4ALDH1A1TSHRMAPT
SCHEMBL22439708 0.87 KMT2A (0.53) KMT2ACYP3A4ALDH1A1HSP90AA1TSHR
SCHEMBL30141956 0.86 CYP3A4 (0.42) KMT2ACYP3A4ALDH1A1HSP90AA1TSHR
SCHEMBL30141954 0.86 CYP3A4 (0.42) KMT2ACYP3A4ALDH1A1HSP90AA1TSHR
SCHEMBL22406933 0.86 CYP3A4 (0.42) KMT2ACYP3A4ALDH1A1HSP90AA1TSHR
SCHEMBL22406858 0.86 CYP3A4 (0.42) KMT2ACYP3A4ALDH1A1TSHRMAPT
SCHEMBL22407105 0.86 POLB (0.42) KMT2ACYP3A4ALDH1A1HSP90AA1TSHR
SCHEMBL22406923 0.85 CYP3A4 (0.41) KMT2ACYP3A4ALDH1A1HSP90AA1TSHR

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 KMT2A 858/4885CYP3A4 219/4885ALDH1A1 1485/4885
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 KMT2A 858/4885CYP3A4 219/4885ALDH1A1 1485/4885

“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.