SCHEMBL17985356

SCHEMBL17985356

CC(C)(C)OC(=O)N1CCc2nc(Cl)c(C#N)cc2C1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
ESR2 Q92731 1/20 0.50
NR1H2 P55055 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR119 Q8TDV5 6/20 0.41
GAA P10253 1/20 0.41
HIF1A Q16665 1/20 0.39
MAPK1 P28482 1/20 0.39
NR1H3 Q13133 1/20 0.39
PARP1 P09874 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
PARP2 Q9UGN5 1/20 0.39
POLB P06746 1/20 0.38

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
SCHEMBL1036005 0.85 SMN1; SMN2 (0.47) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL10208241 0.84 MAPT (0.49) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL18550196 0.83 ESR2 (0.53) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL30685427 0.83 ESR2 (0.53) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL19664913 0.82 SMN1; SMN2 (0.54) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL5599594 0.81 ESR2 (0.62) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL10208249 0.80 MAPT (0.46) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL17984894 0.79 GPR119 (0.47) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL31341413 0.78 ESR2 (0.53) MAPTKDM4EMEN1ALDH1A1RAB9A
SCHEMBL5542875 0.78 MAPT (0.63) MAPTKDM4EMEN1ALDH1A1RAB9A

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-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative MEDSHINE DISCOVERY INC. (CN) 2019-03-12 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
US-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE MEDSHINE DISCOVERY INC. (CN) 2018-06-14 US disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
EP-3252059-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE Medshine Discovery Inc. (CN) 2017-12-06 EP disclosed
WO-2016119706-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE 南京明德新药研发股份有限公司 2016-08-04 WO 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-20180162878-A1 ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE NDUFV1, NDUFV2, MT-ND4 MAPT 2387/4885KDM4E 2871/4885MEN1 4332/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 MAPT 2387/4885KDM4E 2871/4885MEN1 4332/4885

“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.