SCHEMBL20135124

SCHEMBL20135124

Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(C3(C(C)(C)C)NC(=O)NC3=O)cc2)CC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
SLC6A7 Q99884 3/20 0.36
EGLN1 Q9GZT9 1/20 0.35
HTT P42858 1/20 0.34
ADAMTS5 Q9UNA0 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ADAM17 P78536 2/20 0.34
FASN P49327 2/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
CRBN Q96SW2 1/20 0.33
MMP2 P08253 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 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
SCHEMBL29688478 1.00 ALDH1A1 (0.37) ALDH1A1MAPK1SLC6A7EGLN1HTT
SCHEMBL20135258 0.92 MEN1 (0.36) ALDH1A1MAPK1SLC6A7EGLN1HTT
SCHEMBL20135467 0.90 ADAM17 (0.35) ALDH1A1MAPK1SLC6A7EGLN1ADAMTS5
SCHEMBL20135515 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1SLC6A7HTTADAMTS5
SCHEMBL29688956 0.89 ALDH1A1 (0.40) ALDH1A1MAPK1SLC6A7HTTADAMTS5
SCHEMBL20134930 0.88 SLC6A7 (0.38) ALDH1A1MAPK1SLC6A7EGLN1ADAMTS5
SCHEMBL20134934 0.88 SLC6A7 (0.38) ALDH1A1MAPK1SLC6A7EGLN1ADAMTS5
SCHEMBL29688969 0.85 SLC6A7 (0.37) ALDH1A1MAPK1SLC6A7EGLN1ADAMTS5
SCHEMBL20135138 0.85 SLC6A7 (0.37) ALDH1A1MAPK1SLC6A7EGLN1ADAMTS5
SCHEMBL20135625 0.85 ADAM17 (0.41) ADAMTS5ADAM17MMP2

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 8 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 claimed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US claimed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP claimed
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 ALDH1A1 584/4885MAPK1 377/4885SLC6A7 3698/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 ALDH1A1 610/4885MAPK1 270/4885SLC6A7 3473/4885

“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.