SCHEMBL25224124

SCHEMBL25224124

Cc1c(O)cc(O)c(C(=O)N2CCc3ccc(CN(C)C)cc3C2)c1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QRFPR Q96P65 8/20 0.44
TMEM97 Q5BJF2 6/20 0.43
SIGMAR1 Q99720 6/20 0.43
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 1/20 0.42
KCNE1 P15382 1/20 0.42
SCN5A Q14524 1/20 0.42
ESR1 P03372 2/20 0.41
GPR183 P32249 1/20 0.40
SPR P35270 1/20 0.40
STS P08842 2/20 0.38
HSP90AA1 P07900 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
SLC6A2 P23975 1/20 0.38
HRH2 P25021 1/20 0.38
ADRA1D P25100 1/20 0.38
HTR1B P28222 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL30301552 1.00 QRFPR (0.44) QRFPRTMEM97SIGMAR1KCNH2CYP2D6
SCHEMBL25216893 0.96 QRFPR (0.48) QRFPRTMEM97SIGMAR1KCNH2CYP2D6
SCHEMBL30301571 0.96 QRFPR (0.48) QRFPRTMEM97SIGMAR1KCNH2CYP2D6
SCHEMBL30301533 0.93 HSP90AA1 (0.40) QRFPRTMEM97SIGMAR1KCNH2SPR
SCHEMBL25219116 0.93 HSP90AA1 (0.40) QRFPRTMEM97SIGMAR1KCNH2SPR
SCHEMBL25669016 0.88 KMT2A (0.45) TMEM97SIGMAR1GPR183SPRHTR1A
SCHEMBL30368318 0.88 SPR (0.51) CYP2D6SPRHSP90AA1
SCHEMBL25669000 0.88 SPR (0.51) CYP2D6SPRHSP90AA1
SCHEMBL25249624 0.87 ESR1 (0.41) TMEM97SIGMAR1CYP2D6ESR1GPR183
SCHEMBL30368252 0.87 ESR1 (0.41) TMEM97SIGMAR1CYP2D6ESR1GPR183

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20230183197-A1 INHIBITORS OF MLH1 AND/OR PMS2 FOR CANCER TREATMENT Neophore Limited (GB) 2023-06-15 US 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 QRFPR 2617/4885TMEM97 2944/4885SIGMAR1 4819/4885

“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.