SCHEMBL20135728

SCHEMBL20135728

Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(C3(c4ccccc4)NC(=O)NC3=O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 1/20 0.40
MGLL Q99685 1/20 0.40
CRBN Q96SW2 1/20 0.39
ADAMTS5 Q9UNA0 4/20 0.39
SMO Q99835 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
AKR1B1 P15121 2/20 0.38
ALDH1A1 P00352 2/20 0.38
NTSR1 P30989 1/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RECQL P46063 1/20 0.38
CACNA1F O60840 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HTR2A P28223 1/20 0.37
HRH1 P35367 1/20 0.37
SCN1A P35498 1/20 0.37

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
SCHEMBL20135381 0.89 POLB (0.44) CRBNADAMTS5SMOPOLBHTT
SCHEMBL20134934 0.88 SLC6A7 (0.38) SLC6A7MGLLCRBNADAMTS5SMO
SCHEMBL20134930 0.88 SLC6A7 (0.38) SLC6A7MGLLCRBNADAMTS5SMO
SCHEMBL20134769 0.86 SLC6A7 (0.36) SLC6A7CRBNADAMTS5ALDH1A1KDM4E
SCHEMBL29688969 0.85 SLC6A7 (0.37) SLC6A7CRBNADAMTS5ALDH1A1KDM4E
SCHEMBL20135138 0.85 SLC6A7 (0.37) SLC6A7CRBNADAMTS5ALDH1A1KDM4E
SCHEMBL20134951 0.85 ADAM17 (0.41) ADAMTS5MMP1MMP2
SCHEMBL29688941 0.85 ADAM17 (0.41) ADAMTS5MMP1MMP2
SCHEMBL20135625 0.85 ADAM17 (0.41) ADAMTS5MMP1MMP2
SCHEMBL20135124 0.85 ALDH1A1 (0.37) SLC6A7CRBNADAMTS5HTTALDH1A1

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 6 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 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 SLC6A7 3698/4885MGLL 3850/4885CRBN 3363/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 SLC6A7 3473/4885MGLL 3743/4885CRBN 3419/4885

“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.