SCHEMBL25668982

SCHEMBL25668982

COc1cccc2c1CN(C(=O)c1c(O)cc(O)cc1OCc1ccccc1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 5/20 0.54
HSP90B1 P14625 4/20 0.54
ABHD6 Q9BV23 1/20 0.43
MRGPRX4 Q96LA9 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC8 Q9BY41 2/20 0.40
SMPD1 P17405 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
GPR183 P32249 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
SLC6A9 P48067 1/20 0.40
CHRNA7 P36544 2/20 0.40
SCN9A Q15858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ABL1 P00519 1/20 0.40
RIN1 Q13671 1/20 0.40
RXRA P19793 1/20 0.40
CPT2 P23786 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
SCHEMBL30368285 1.00 TRAP1 (0.54) TRAP1HSP90B1ABHD6MRGPRX4MEN1
SCHEMBL31013642 0.89 TRAP1 (0.49) TRAP1HSP90B1ABHD6MRGPRX4MEN1
SCHEMBL25668993 0.89 CHRNA7 (0.51) MEN1KMT2AHDAC8SMPD1HDAC1
SCHEMBL30368419 0.89 CHRNA7 (0.51) MEN1KMT2AHDAC8SMPD1HDAC1
SCHEMBL24913881 0.88 TRAP1 (0.51) TRAP1HSP90B1ABHD6MRGPRX4MEN1
SCHEMBL30156809 0.88 TRAP1 (0.51) TRAP1HSP90B1ABHD6MRGPRX4MEN1
SCHEMBL25668954 0.87 SPR (0.49) TRAP1HSP90B1
SCHEMBL30368420 0.87 SPR (0.49) TRAP1HSP90B1
SCHEMBL24913845 0.87 TRAP1 (0.41) TRAP1HSP90B1
SCHEMBL30156653 0.87 TRAP1 (0.41) TRAP1HSP90B1

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
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 CN claimed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US disclosed
CN-115996907-A Inhibitors of MLH1 and/or PMS2 for cancer treatment 奈奥芬莱有限公司 2023-04-21 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 (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-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT MSH2, PMS2, MSH6 TRAP1 1872/4885HSP90B1 2130/4885ABHD6 4736/4885

“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.