SCHEMBL4348396

SCHEMBL4348396

CN(C)Cc1nc(CSCCN)cs1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.52
PRMT6 Q96LA8 1/20 0.44
CNR2 P34972 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.32
BCHE P06276 3/20 0.32
HRH2 P25021 3/20 0.32
SLC22A2 O15244 2/20 0.32
CA12 O43570 2/20 0.32
SLC22A3 O75751 2/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
MAOA P21397 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
BLM P54132 2/20 0.32
PMP22 Q01453 2/20 0.32

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
Hydrochloric Acid SCHEMBL10425945 0.98 ACHE (0.51) ACHEPRMT6CNR2L3MBTL1BCHE
Hydrochloric Acid SCHEMBL30087038 0.98 ACHE (0.51) ACHEPRMT6CNR2L3MBTL1BCHE
Bromide SCHEMBL10425509 0.98 ACHE (0.51) ACHEPRMT6CNR2L3MBTL1BCHE
Bromide SCHEMBL10425819 0.90 ACHE (0.49) ACHEPRMT6CNR2BCHEHRH2
SCHEMBL10425769 0.87 ACHE (0.42) ACHEPRMT6L3MBTL1HRH2SLC22A2
SCHEMBL11191077 0.87 ACHE (0.41) ACHEPRMT6CNR2CYP2D6HTR1A
SCHEMBL10785243 0.85 ACHE (0.40) ACHEPRMT6L3MBTL1HRH2SLC22A2
Hydrochloric Acid SCHEMBL28891089 0.84 ACHE (0.43) ACHEPRMT6
SCHEMBL11069411 0.83 ACHE (0.39) ACHEPRMT6HTR1AHTR2AHTR7
SCHEMBL8341614 0.80 ACHE (0.36) ACHEL3MBTL1HRH2SLC22A2CA12

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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117598316-A New nicotine pesticide in fruits and vegetables and detection method of metabolite thereof 舟山市食品药品检验检测研究院 2024-02-27 CN claimed
CN-1397553-A Process for preparing Nizatidine BIAN LUSHENG (CN) 2003-02-19 CN claimed
EP-0116452-B1 IMPROVEMENTS IN OR RELATING TO THE SYNTHESIS OF NIZATIDINE ELI LILLY AND COMPANY (US) 1993-01-13 EP claimed
US-4904792-A N-thiazolymethylthioalkyl-N'-alkylamidines and related compounds ELI LILLY AND COMPANY (US) 1990-02-27 US claimed
EP-0230127-A1 Synthesis of nizatidine ELI LILLY AND COMPANY (US) 1987-07-29 EP claimed
US-4587344-A Isothiourea synthesis process ELI LILLY AND COMPANY (US) 1986-05-06 US claimed
EP-0116452-A2 Improvements in or relating to the synthesis of nizatidine ELI LILLY AND COMPANY (US) 1984-08-22 EP claimed
CN-217809227-U Nizatidine synthesis and refining equipment combination 无棣融川医药化工科技有限公司 2022-11-15 CN disclosed
CN-115108949-A Method for preparing 2- (methylsulfonyl) ethylamine hydrochloride by using methyl mercaptan 江苏恒沛药物科技有限公司 2022-09-27 CN disclosed
US-20090275622-A1 NIZATIDINE FORMULATIONS DR. REDDY'S LABORATORIES LIMITED (IN) 2009-11-05 US disclosed
CN-1397553-A Process for preparing Nizatidine BIAN LUSHENG (CN) 2003-02-19 CN disclosed
EP-0704214-B1 Process for obtaining pure nizatidine LILLY CO ELI (US) 2000-04-26 EP disclosed
EP-0960880-A1 Process for preparing intermediates to nizatidine and related compounds ELI LILLY AND COMPANY (US) 1999-12-01 EP disclosed
EP-0083186-A2 Thiazole derivatives as H2-receptor antagonists ELI LILLY AND COMPANY (US) 1983-07-06 EP disclosed
US-4382090-A N-Thiazolylmethylthioalkyl-N'alkylamidines and related compounds ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
US-4380639-A ANTIULCER AND ANTISECRETORY AGENTS BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4380638-A ANTIULCER AND ANTISECRETORY AGENTS; DERIVATIVES OF 3-AMINO-4-HET-A BRISTOL-MYERS COMPANY (US) 1983-04-19 US disclosed
US-4375547-A ANTIHISTAMINES, 'I RECEPTOR ANTAGONISTS, ANTISECRETORY AGENTS ELI LILLY AND COMPANY (US) 1983-03-01 US disclosed
US-4374248-A ANTIHISTAMINES, ANTIULCER BRISTOL-MYERS COMPANY (US) 1983-02-15 US disclosed
EP-0049618-A1 Improvements in or relating to 2,4-disubstituted thiazole derivatives ELI LILLY AND COMPANY (US) 1982-04-14 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 (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 1618/4885PRMT6 152/4885CNR2 4039/4885

“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.