SCHEMBL20135356

SCHEMBL20135356

CC(C)C1(c2ccc(C(=O)Cl)cc2)NC(=O)NC1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP2C9 P11712 2/20 0.34
CACNA1F O60840 1/20 0.34
MAPT P10636 1/20 0.34
HTR2A P28223 1/20 0.34
HRH1 P35367 1/20 0.34
SCN1A P35498 1/20 0.34
SCN4A P35499 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
CACNA1D Q01668 1/20 0.34
KCNH2 Q12809 1/20 0.34
CACNA1S Q13698 1/20 0.34
CACNA1C Q13936 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN2A Q99250 1/20 0.34
SCN3A Q9NY46 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL20135355 1.00 AKR1B1 (0.36) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL20134941 0.86 AKR1B1 (0.40) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL20134939 0.86 AKR1B1 (0.40) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL20135221 0.86 AKR1B1 (0.40) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL20134752 0.79 ADAM17 (0.45) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL4232196 0.79 CYP2C9 (0.55) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL20134833 0.75 CYP2C9 (0.41) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL20135641 0.72 TSHR (0.39) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL11010656 0.72 CYP2C9 (0.47) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT
SCHEMBL20135629 0.71 AKR1B1 (0.35) AKR1B1ALDH1A1CYP2C9CACNA1FMAPT

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
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 AKR1B1 2158/4885ALDH1A1 584/4885CYP2C9 139/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 AKR1B1 2142/4885ALDH1A1 610/4885CYP2C9 97/4885

“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.