SCHEMBL24224669

SCHEMBL24224669

CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.71
MAPK1 P28482 5/20 0.71
CYP1A2 P05177 3/20 0.71
ABCB1 P08183 3/20 0.71
HTR1A P08908 3/20 0.71
ADRA2A P08913 3/20 0.71
ADORA3 P0DMS8 3/20 0.71
CYP2D6 P10635 3/20 0.71
CHRM1 P11229 3/20 0.71
DRD1 P21728 3/20 0.71
SLC6A2 P23975 3/20 0.71
SLC6A4 P31645 3/20 0.71
ADRA1A P35348 3/20 0.71
DRD3 P35462 3/20 0.71
THPO P40225 3/20 0.71
MTOR P42345 3/20 0.71
SLC6A3 Q01959 3/20 0.71
KCNH2 Q12809 3/20 0.71
ABCB11 O95342 3/20 0.71
NPC1 O15118 2/20 0.71

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
SCHEMBL21445198 0.89 TP53 (0.67) TP53MAPK1CYP1A2ABCB1HTR1A
Ammonia Solution, Strong SCHEMBL6944606 0.89 TP53 (0.71) TP53MAPK1CYP1A2ABCB1HTR1A
Dimethylamine SCHEMBL7750171 0.87 TP53 (0.69) TP53MAPK1CYP1A2ABCB1HTR1A
Dimethylamine SCHEMBL7746717 0.86 TP53 (0.68) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL13305160 0.86 TP53 (0.71) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL7346761 0.85 TP53 (0.86) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL20774243 0.85 TP53 (0.67) TP53MAPK1CYP1A2ABCB1HTR1A
Ammonia Solution, Strong SCHEMBL22186870 0.84 TP53 (0.65) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL13305285 0.84 TP53 (0.79) TP53MAPK1CYP1A2ABCB1HTR1A
SCHEMBL561399 0.84 LMNA (0.75) TP53MAPK1CYP1A2ABCB1HTR1A

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-20220024879-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION TWINCORE ZENTRUM FUR EXPERIMENTELLE UND KLINISCHE INFEKTIONSFORSCHUNG GMBH (DE) 2022-01-27 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-20220024879-A1 COMPOUNDS FOR TREATMENT OF HEPACI VIRUS INFECTION AND METHOD FOR DETERMINING THERAPY OF HEPACI VIRUS INFECTION, IN PARTICULAR, HCV INFECTION HAVCR2, HCCS, HELZ TP53 397/4885MAPK1 3302/4885CYP1A2 33/4885

“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.