SCHEMBL20134989

SCHEMBL20134989

Cc1cnc(N2CCN(C(=O)c3ccc([C@@]4(C(C)C)NC(=O)NC4=O)cc3)CC2)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 2/20 0.39
ADAMTS5 Q9UNA0 4/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
ADAM17 P78536 2/20 0.37
SLC6A7 Q99884 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
CRBN Q96SW2 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
CFTR P13569 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL20134972 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EADAMTS5CYP2C9CYP2C19
SCHEMBL29688610 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EADAMTS5CYP2C9CYP2C19
SCHEMBL20135171 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EADAMTS5CYP2C9CYP2C19
SCHEMBL20135175 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EADAMTS5CYP2C9CYP2C19
SCHEMBL20135540 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EADAMTS5CYP2C9CYP2C19
SCHEMBL29688990 0.93 ALDH1A1 (0.40) ALDH1A1KDM4EADAMTS5CYP2C9CYP2C19
SCHEMBL29688455 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EADAMTS5HTTADAM17
SCHEMBL29688685 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EADAMTS5HTTADAM17
SCHEMBL20134750 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EADAMTS5HTTADAM17
SCHEMBL29688589 0.89 ALDH1A1 (0.37) ALDH1A1KDM4EADAMTS5HTTADAM17

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN claimed
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
CN-107922347-B Novel imide derivatives and their use as pharmaceuticals 田边三菱制药株式会社 2022-06-28 CN disclosed
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 584/4885KDM4E 725/4885ADAMTS5 23/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 ALDH1A1 610/4885KDM4E 723/4885ADAMTS5 25/4885

“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.