SCHEMBL21311150

SCHEMBL21311150

CC(C)n1c2c(c3ccccc31)C=CC(C(F)(F)F)C2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RORA P35398 1/20 0.33
RORC P51449 1/20 0.33
RORB Q92753 1/20 0.33
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM4 Q14833 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
SCHEMBL21311148 0.82 GPR3 (0.38) NPY5RSIGMAR1MAPTTSHRMAPK1
SCHEMBL19268883 0.81 MAPT (0.37) NPY5RSIGMAR1MAPTTSHRMAPK1
SCHEMBL10073214 0.69 MAPT (0.39) NPY5RSIGMAR1MAPTTSHRMAPK1
SCHEMBL23196755 0.68 KDM4E (0.32) SIGMAR1TSHRMAPK1HTTMEN1
SCHEMBL24667866 0.66 CASR (0.36) SIGMAR1
SCHEMBL21311186 0.66 MAPT (0.36) NPY5RMAPTTSHRMAPK1CASP1
SCHEMBL21215259 0.66 CSNK2A2 (0.34)
SCHEMBL24237285 0.64 KDM4E (0.32) MAPTTSHRMAPK1TDP1
SCHEMBL150044 0.63 BCHE (0.59) NPY5RMAPTTSHRMAPK1CASP1
SCHEMBL29780042 0.63 BCHE (0.59) NPY5RMAPTTSHRMAPK1CASP1

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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-08-29 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-20190262371-A1 METHODS AND COMPOSITION FOR THE TREATMENT OF RNA VIRAL INFECTIONS POLRMT, EIF2AK2, NSUN3 NPY5R 4867/4885SIGMAR1 1398/4885MAPT 3661/4885

“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.