SCHEMBL700182

SCHEMBL700182

CC(=O)c1ccc[n+](C)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.68
USP2 O75604 1/20 0.68
APOBEC3A P31941 4/20 0.54
APOBEC3G Q9HC16 4/20 0.54
HDAC8 Q9BY41 6/20 0.45
LMNA P02545 3/20 0.44
BCHE P06276 2/20 0.44
GLA P06280 2/20 0.44
ACHE P22303 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
PABPC1 P11940 1/20 0.44
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
FDPS P14324 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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 SCHEMBL2293932 0.98 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL29581532 0.83 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL679317 0.83 NNMT (0.68) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL195666 0.81 USP2 (1.00) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL5310723 0.81 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
SCHEMBL9626201 0.81 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL5013564 0.81 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonellamide SCHEMBL132244 0.81 NNMT (1.00) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL29561369 0.81 USP2 (1.00) NNMTUSP2APOBEC3AAPOBEC3GHDAC8
Trigonelline SCHEMBL15361649 0.81 NNMT (0.66) NNMTUSP2APOBEC3AAPOBEC3GHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115939519-A Electrolyte and battery containing same 蜂巢能源科技(无锡)有限公司 2023-04-07 CN claimed
US-20160346265-A1 Use of Quaternary Pyridinium Salts as Vasoprotective Agents Pharmena Spólka Akcyjna (Pharmena S.A.) (PL) 2016-12-01 US claimed
US-9333196-B2 Use of quaternary pyridinium salts as vasoprotective agents Pharmena Spólka Akcyjna (Pharmena S.A.) (PL) 2016-05-10 US claimed
US-20150133508-A1 Use of Quaternary Pyridinium Salts as Vasoprotective Agents Pharmena Spólka Akcyjna (Pharmena S.A.) (PL) 2015-05-14 US claimed
US-8969391-B2 Use quaternary pyridinium salts as vasoprotective agents Pharmena Spólka Akcyjna (Pharmena S.A.) (PL) 2015-03-03 US claimed
US-8304439-B1 Use of quaternary pyridinium salts as a therapeutic or preventing agent against ionizing radiation-induced damage POLITECHNIKA LODZKA (PL) 2012-11-06 US claimed
US-8124631-B2 Use of quaternary pyridinium salts as vasoprotective agents PHARMENA SPOLKA AKCYJNA (PHARMENA S.A.) (PL) 2012-02-28 US claimed
US-20110245297-A1 Use Quaternary Pyridinium Salts as Vasoprotective Agents Pharmena Spolka Akeyjna (Pharmena S.A.) (PL) 2011-10-06 US claimed
US-20110201653-A1 METHOD FOR INHIBITING AND/OR PREVENTING FORMATION OF CANCER METASTASES AND SECONDARY MALIGNANT CANCER POLITECHNIKA LODZKA 2011-08-18 US claimed
EP-2211857-A1 USE OF QUATERNARY PYRIDINIUM SALTS FOR RADIOPROTECTION Politechnika Lodzka (PL) 2010-08-04 EP claimed
US-20100173956-A1 Use of Quaternary Pyridinium Salts as Vasoprotective Agents PHARMENA SPOLKA AKCYJNA (PHARMENA S.A.) (PL) 2010-07-08 US claimed
US-20090118340-A1 Method for inhibiting and/or preventing formation of cancer metastases and seconddary malignant cancers POLITECHNIKA LODZKA (PL) 2009-05-07 US claimed
WO-2009047290-A1 USE OF QUATERNARY PYRIDINIUM SALTS FOR RADIOPROTECTION POLITECHNIKA LODZKA (PL) 2009-04-16 WO claimed
CN-115939519-A Electrolyte and battery containing same 蜂巢能源科技(无锡)有限公司 2023-04-07 CN disclosed
US-9675601-B2 Use of quaternary pyridinium salts as vasoprotective agents Pharmena Spólka Akcyjna (Pharmena S.A.) (PL) 2017-06-13 US disclosed
US-20160346265-A1 Use of Quaternary Pyridinium Salts as Vasoprotective Agents Pharmena Spólka Akcyjna (Pharmena S.A.) (PL) 2016-12-01 US disclosed
WO-2007103540-A2 COMBINATION THERAPY WITH NON-SELECTIVE COX INHIBITORS TO PREVENT COX-RELATED GASTRIC INJURIES PHARMENA NORTH AMERICA INC. (CA) 2007-09-13 WO disclosed
EP-1336612-B1 NOVEL CARBAPENEM DERIVATIVES MEIJI SEIKA KAISHA (JP) 2007-01-17 EP disclosed
EP-1713480-A2 THE USE OF QUATERNARY PYRIDINIUM SALTS AS VASOPROTECTIVE AGENTS Pharmena Sp Zo.o. (PL) 2006-10-25 EP disclosed
WO-2005067927-A2 THE USE OF QUATERNARY PYRIDINIUM SALTS AS VASOPROTECTIVE AGENTS PHARMENA SP Z O.O. (PL) 2005-07-28 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 (6 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-20110201653-A1 METHOD FOR INHIBITING AND/OR PREVENTING FORMATION OF CANCER METASTASES AND SECONDARY MALIGNANT CANCER CYTH3, HRH3, CFH NNMT 171/4885USP2 2620/4885APOBEC3A 3160/4885
US-20110245297-A1 Use Quaternary Pyridinium Salts as Vasoprotective Agents PTGIS, PLPBP, PNPO NNMT 516/4885USP2 1396/4885APOBEC3A 4409/4885
US-20100173956-A1 Use of Quaternary Pyridinium Salts as Vasoprotective Agents PLPBP, PTGIS, PNPO NNMT 435/4885USP2 1547/4885APOBEC3A 4307/4885
US-20090118340-A1 Method for inhibiting and/or preventing formation of cancer metastases and seconddary malignant cancers CYTH3, CCNH, HCCS NNMT 161/4885USP2 2310/4885APOBEC3A 3022/4885
US-20160346265-A1 Use of Quaternary Pyridinium Salts as Vasoprotective Agents PLPBP, PTGIS, PNPO NNMT 435/4885USP2 1547/4885APOBEC3A 4307/4885
US-20150133508-A1 Use of Quaternary Pyridinium Salts as Vasoprotective Agents PLPBP, PTGIS, PNPO NNMT 435/4885USP2 1547/4885APOBEC3A 4307/4885

“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.