Sugi Predict

Sugi Predict / Compounds / SCHEMBL17984080

SCHEMBL17984080

SCHEMBL17984080

CC1(CN2CCc3nc(-c4ccccc4)ccc3C2)Cn2cc([N+](=O)[O-])nc2O1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 5/20 0.51
▸ CACNA1C Q13936 1/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ PTGS1 P23219 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ PDCD1 Q15116 1/20 0.31
▸ CD274 Q9NZQ7 1/20 0.31
▸ MAPT P10636 1/20 0.30

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
SCHEMBL17985013 0.92 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL20240428 0.92 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL19664899 0.92 KCNH2 (0.62) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL20250851 0.92 KCNH2 (0.62) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL17984839 0.92 KCNH2 (0.62) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL20250818 0.92 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL19664953 0.90 KCNH2 (0.53) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL17984837 0.90 KCNH2 (0.53) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL17984833 0.90 KCNH2 (0.50) KCNH2CACNA1CSCN5APTGS1SLC6A2
SCHEMBL17984849 0.90 KCNH2 (0.52) KCNH2CACNA1CSCN5APTGS1SLC6A2

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 KCNH2 3983/4885CACNA1C 4771/4885SCN5A 3769/4885
US-10227362-B2 Anti-pulmonary tuberculosis nitroimidazole derivative NDUFV1, NDUFV2, MT-ND4 KCNH2 3983/4885CACNA1C 4771/4885SCN5A 3769/4885

“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.