SCHEMBL4344477

SCHEMBL4344477

CN(C)Cc1nc(CSCCNC(=C[N+](=O)[O-])NCCSCc2csc(CN(C)C)n2)cs1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 10/20 0.90
HRH2 P25021 2/20 0.52
MEN1 O00255 1/20 0.52
SLC22A1 O15245 1/20 0.52
ABCB11 O95342 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
CHRM1 P11229 1/20 0.52
TSHR P16473 1/20 0.52
ADRA2C P18825 1/20 0.52
NFKB1 P19838 1/20 0.52
CHRM3 P20309 1/20 0.52
ATP4A P20648 1/20 0.52
PTGS1 P23219 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
PTGS2 P35354 1/20 0.52
ATP4B P51164 1/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL10425788 0.96 ACHE (0.83) ACHEHRH2MEN1SLC22A1ABCB11
SCHEMBL10426667 0.96 ACHE (0.83) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL13575816 0.95 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL770 0.95 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL769 0.95 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL9241933 0.95 ACHE (1.00) ACHEHRH2MEN1SLC22A1ABCB11
SCHEMBL10970986 0.94 ACHE (0.80) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL5041217 0.94 ACHE (0.98) ACHEHRH2MEN1SLC22A1ABCB11
Nizatidine SCHEMBL28723397 0.94 ACHE (0.98) ACHEHRH2MEN1SLC22A1ABCB11
SCHEMBL10967376 0.93 ACHE (0.79) ACHEHRH2MEN1SLC22A1ABCB11

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0704214-B1 Process for obtaining pure nizatidine LILLY CO ELI (US) 2000-04-26 EP claimed
EP-0704214-A1 Process for obtaining pure nizatidine ELI LILLY AND COMPANY (US) 1996-04-03 EP claimed
US-5470865-A Nizatidine ELI LILLY AND COMPANY (US) 1995-11-28 US claimed
US-20090275622-A1 NIZATIDINE FORMULATIONS DR. REDDY'S LABORATORIES LIMITED (IN) 2009-11-05 US disclosed
EP-0704214-B1 Process for obtaining pure nizatidine LILLY CO ELI (US) 2000-04-26 EP disclosed
EP-0704214-A1 Process for obtaining pure nizatidine ELI LILLY AND COMPANY (US) 1996-04-03 EP disclosed
US-5470865-A Nizatidine ELI LILLY AND COMPANY (US) 1995-11-28 US 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-20090275622-A1 NIZATIDINE FORMULATIONS SLC30A5, SLC39A11, NNMT ACHE 1618/4885HRH2 780/4885MEN1 596/4885

“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.