SCHEMBL20135394

SCHEMBL20135394

CC(C)(C)OC(=O)N1CCC(c2n[nH]c3cc(Br)cc(Br)c23)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48
HTT P42858 2/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CNR1 P21554 2/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
GPR119 Q8TDV5 2/20 0.41
ALDH1A1 P00352 3/20 0.40
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL29688763 1.00 KDM4E (0.48) KDM4EMAPTTHRBHTTIDO1
SCHEMBL20135279 0.91 KDM4E (0.46) KDM4EMAPTTHRBHTTIDO1
SCHEMBL31602545 0.85 JAK2 (0.47) KDM4EMAPTTHRBHTTCNR1
SCHEMBL31602768 0.81 JAK2 (0.44) KDM4EMAPTTHRBHTTCNR1
SCHEMBL20135481 0.80 KDM4E (0.45) KDM4EMAPTTHRBHTTCNR1
SCHEMBL4665015 0.79 KDM4E (0.47) KDM4EMAPTTHRBHTTCNR1
SCHEMBL31602664 0.79 JAK2 (0.48) KDM4EMAPTTHRBHTTCNR1
SCHEMBL24331548 0.78 JAK2 (0.47) KDM4EMAPTTHRBHTTCNR1
SCHEMBL24330086 0.77 MAPT (0.46) KDM4EMAPTTHRBHTTCNR1
SCHEMBL16935485 0.77 KDM1A (0.45) KDM4EMAPTTHRBHTTIDO1

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-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
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 KDM4E 725/4885MAPT 4505/4885THRB 4280/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 KDM4E 723/4885MAPT 4265/4885THRB 4174/4885

“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.