SCHEMBL899263

SCHEMBL899263

CCn1cc[n+](C)c1.N#C[B-](F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 1/20 0.42
APAF1 O14727 1/20 0.42
NPC1 O15118 1/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
FDPS P14324 2/20 0.33
LMNA P02545 1/20 0.32
PON1 P27169 1/20 0.30

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
SCHEMBL2149004 0.93 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL897977 0.91 SMN1; SMN2 (0.41) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL18093207 0.89 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
Acetonitrile SCHEMBL14637715 0.89 SMN1; SMN2 (0.42) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL180235 0.87 SMN1; SMN2 (0.43) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL8169330 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL6750309 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL9931725 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL14859660 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1APAF1NPC1PLA2G1B
SCHEMBL60789 0.87 SMN1; SMN2 (0.48) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921589-B2 Electrolyte formulations MERCK PATENT GMBH (DE) 2014-12-30 US disclosed
US-8829201-B2 Electrolyte Formulations MERCK PATENT GMBH (DE) 2014-09-09 US disclosed
EP-2622617-A2 ELECTROLYTE FORMULATIONS Merck Patent GmbH (DE) 2013-08-07 EP disclosed
US-20130180591-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-18 US disclosed
US-20120318360-A1 Electrolyte Formulations MERCK PATENT GMBH (DE) 2012-12-20 US disclosed
WO-2012041437-A2 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2012-04-05 WO disclosed
WO-2011085964-A1 ELECTROLYTE FORMULATIONS MERCK PATENT GMBH (DE) 2011-07-21 WO disclosed
JP-2004175666-A ONIUM SALT TOKUYAMA CORP 2004-06-24 JP 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-20120318360-A1 Electrolyte Formulations NHERF1, HCN4, DDT SMN1; SMN2 4519/4885MEN1 1923/4885APAF1 4563/4885

“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.