SCHEMBL12995111

SCHEMBL12995111

CC(C)OC(=O)Nc1ccc(-c2c(-c3ccno3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 4/20 0.35
HRH3 Q9Y5N1 9/20 0.34
DYRK1A Q13627 1/20 0.34
NPY1R P25929 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABL1 P00519 1/20 0.32
GRM4 Q14833 1/20 0.32

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
SCHEMBL12995292 0.96 S1PR3 (0.35) S1PR3HRH3DYRK1AABL1GRM4
SCHEMBL12995208 0.88 RIPK3 (0.39) S1PR3HRH3DYRK1ANPY1RRIPK3
SCHEMBL10096070 0.88 MAPT (0.36) NPC1CYP1A2CYP2D6CYP2C9HPGD
SCHEMBL12995182 0.88 HRH3 (0.34) S1PR3HRH3DYRK1ANPY1RNPC1
SCHEMBL12995106 0.87 P2RX3 (0.37) S1PR3HRH3DYRK1ANPY1RHPGD
SCHEMBL12995441 0.87 EPHX2 (0.39) HRH3
SCHEMBL12995211 0.87 S1PR3 (0.38) S1PR3HRH3NPY1RNPC1CYP1A2
SCHEMBL12994954 0.86 S1PR3 (0.39) S1PR3HRH3DYRK1ANPC1CYP1A2
SCHEMBL12995204 0.86 HRH3 (0.36) S1PR3HRH3ABL1
SCHEMBL12995109 0.86 HRH3 (0.35) S1PR3HRH3DYRK1ANPY1RRIPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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 (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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS S1PR3 1968/4885HRH3 3336/4885DYRK1A 4875/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS S1PR3 1968/4885HRH3 3336/4885DYRK1A 4875/4885

“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.