SCHEMBL372497

SCHEMBL372497

COCCn1cc[n+](C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 1/20 0.52
APAF1 O14727 1/20 0.52
NPC1 O15118 1/20 0.52
PLA2G1B P04054 1/20 0.52
HSP90AA1 P07900 1/20 0.52
MAPT P10636 1/20 0.52
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ATG4B Q9Y4P1 1/20 0.52
FDPS P14324 2/20 0.40
LMNA P02545 1/20 0.35
PON1 P27169 1/20 0.33
HDAC8 Q9BY41 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
Bromide SCHEMBL2229889 0.98 SMN1; SMN2 (0.55) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Iodide SCHEMBL12469710 0.98 SMN1; SMN2 (0.50) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL6114821 0.98 SMN1; SMN2 (0.50) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL26695497 0.90 SMN1; SMN2 (0.51) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2527601 0.88 SMN1; SMN2 (0.58) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL3118979 0.88 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL2525893 0.86 SMN1; SMN2 (0.61) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Hydrochloric Acid SCHEMBL6115353 0.86 SMN1; SMN2 (0.56) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL16674008 0.85 SMN1; SMN2 (0.53) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL17706398 0.85 SMN1; SMN2 (0.46) SMN1; SMN2MEN1APAF1NPC1PLA2G1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3103156-B1 GELATED IONIC LIQUID FILM-COATED SURFACES AND USES THEREOF GELION TECH PTY LTD (AU) 2019-06-12 EP claimed
US-20190097273-A1 GELATED IONIC LIQUID FILM-COATED SURFACES AND USES THEREOF GELION TECH PTY LTD (AU) 2019-03-28 US claimed
US-10122049-B2 Gelated ionic liquid film-coated surfaces and uses thereof GELION TECHNOLOGIES PTY LTD (AU) 2018-11-06 US claimed
EP-3103156-A1 GELATED IONIC LIQUID FILM-COATED SURFACES AND USES THEREOF Gelion Technologies PTY LTD (AU) 2016-12-14 EP claimed
US-20160351969-A1 GELATED IONIC LIQUID FILM-COATED SURFACES AND USES THEREOF GELION TECHNOLOGIES PTY LTD (AU) 2016-12-01 US claimed
EP-1640654-B1 Ionic liquid based mixtures for gas storage and delivery AIR PROD & CHEM (US) 2016-10-19 EP claimed
US-9058935-B2 Compounds containing alkyl-cyano-borate or alkyl-cyano-fluoroborate anions MERC PATENT GMBH (DE) 2015-06-16 US claimed
EP-2526105-B1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2015-06-03 EP claimed
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US claimed
US-8864883-B2 Surface treatments for dessicant media in a water recovery device Z124 (KY) 2014-10-21 US claimed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US claimed
US-20120309982-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US claimed
US-20120204717-A1 APPARATUS AND METHOD FOR REMOVING CO2 FROM A PRODUCTION PLANT DISCHARGE MUNTERS CORPORATION (US) 2012-08-16 US claimed
WO-2012109547-A1 APPARATUS AND METHOD FOR REMOVING CO2 FROM A PRODUCTION PLANT DISCHARGE MUNTERS CORPORATION (US) 2012-08-16 WO claimed
US-20110247494-A1 LIQUID SORBANT, METHOD OF USING A LIQUID SORBANT, AND DEVICE FOR SORBING A GAS VTU Holding GmbH. (AT) 2011-10-13 US claimed
WO-2011085965-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO claimed
US-7563308-B2 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2009-07-21 US claimed
EP-1640654-A1 Ionic liquid based mixtures for gas storage and delivery AIR PRODUCTS AND CHEMICALS, INC. (US) 2006-03-29 EP claimed
US-20060060817-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US claimed
US-20060060818-A1 Ionic liquid based mixtures for gas storage and delivery VERSUM MATERIALS US, LLC 2006-03-23 US claimed

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-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT SMN1; SMN2 4519/4885MEN1 1923/4885APAF1 4563/4885
US-20120309982-A1 ELECTROLYTE FORMULATIONS SLC9A5, NHERF1, AFF1 SMN1; SMN2 4623/4885MEN1 2076/4885APAF1 1920/4885

“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.