SCHEMBL4885772

SCHEMBL4885772

CCOS(=O)(=O)[O-].CC[n+]1c(/C=C/c2cc(C)n(-c3ccccc3)c2C)ccc2cc(N(C)C)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.62
SYNJ2 O15056 1/20 0.62
MLNR O43193 1/20 0.62
SYNJ1 O43426 1/20 0.62
PGR P06401 1/20 0.62
ADRB1 P08588 1/20 0.62
ADRA2A P08913 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
DRD2 P14416 1/20 0.62
ADRA2B P18089 1/20 0.62
CHRM3 P20309 1/20 0.62
MAOA P21397 1/20 0.62
CNR1 P21554 1/20 0.62
TBXA2R P21731 1/20 0.62
SLC6A2 P23975 1/20 0.62
NPY1R P25929 1/20 0.62
HTR2C P28335 1/20 0.62
ADORA2A P29274 1/20 0.62
BDKRB2 P30411 1/20 0.62

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
SCHEMBL4885776 1.00 AR (0.62) ARSYNJ2MLNRSYNJ1PGR
SCHEMBL5318903 0.90 AR (0.76) ARSYNJ2MLNRSYNJ1PGR
SCHEMBL5318897 0.90 AR (0.76) ARSYNJ2MLNRSYNJ1PGR
Trifluoromethanesulfonic Acid SCHEMBL4888872 0.89 AR (0.63) ARSYNJ2MLNRSYNJ1PGR
Trifluoromethanesulfonic Acid SCHEMBL4888866 0.89 AR (0.63) ARSYNJ2MLNRSYNJ1PGR
Pyrvinium SCHEMBL19457812 0.82 AR (0.82) ARSYNJ2MLNRSYNJ1PGR
Pyrvinium SCHEMBL19457669 0.82 AR (0.82) ARSYNJ2MLNRSYNJ1PGR
Pyrvinium SCHEMBL4881741 0.82 AR (0.89) ARSYNJ2MLNRSYNJ1PGR
SCHEMBL14007229 0.78 AR (0.57) ARSYNJ2MLNRSYNJ1PGR
Pyrvinium SCHEMBL4881744 0.78 AR (0.89) ARSYNJ2MLNRSYNJ1PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080281105-A1 Novel Quinolinium Salts and Derivatives IMMUSOL INCORPORATED (US) 2008-11-13 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-20080281105-A1 Novel Quinolinium Salts and Derivatives NQO2, MCL1, KRAS AR 4178/4885SYNJ2 1696/4885MLNR 4109/4885

“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.