SCHEMBL3465895

SCHEMBL3465895

CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(c3ccc(OCC4(C)Cn5cc([N+](=O)[O-])nc5O4)cc3)CC2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.58
SLC6A2 P23975 1/20 0.58
SLC6A4 P31645 1/20 0.58
KCNH2 Q12809 5/20 0.57
MAPT P10636 6/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ENPP2 Q13822 3/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL2089496 0.94 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2089499 0.94 PTGS1 (0.64) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2097953 0.92 PTGS1 (0.61) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2097952 0.92 PTGS1 (0.61) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL2090218 0.90 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL5016289 0.90 PTGS1 (0.59) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL3466039 0.89 PTGS1 (0.58) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL13282035 0.87 KCNH2 (0.65) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL3465287 0.86 KCNH2 (0.61) PTGS1SLC6A2SLC6A4KCNH2MAPT
SCHEMBL6010817 0.86 KCNH2 (0.56) PTGS1SLC6A2SLC6A4KCNH2MAPT

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-7678791-B2 Nitroheteroaryl-containing rifamycin derivatives CUMBRE IP VENTURES, L.P. (US) 2010-03-16 US disclosed
US-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives CUMBRE PHARMACEUTICALS INC. (US) 2008-06-12 US disclosed
WO-2008008480-A2 NITROHETEROARYL-CONTAINING RIFAMYCIN DERIVATIVES CUMBRE PHARMACEUTICALS INC. (US) 2008-01-17 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 (1 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-20080139577-A1 Nitroheteroaryl-containing rifamycin derivatives NRDC, FNTB, RIF1 PTGS1 729/4885SLC6A2 1633/4885SLC6A4 2333/4885

“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.