SCHEMBL12995409

SCHEMBL12995409

CN(C)c1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.41
EPHX2 P34913 10/20 0.39
EPHX1 P07099 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CXCR3 P49682 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
HRH3 Q9Y5N1 3/20 0.38
FAAH O00519 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL13215081 0.94 GAA (0.40) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL13215080 0.93 EPHX2 (0.39) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL14467817 0.91 NPC1 (0.40) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL12995381 0.90 EPHX2 (0.41) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL12995378 0.88 EPHX2 (0.40) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL14467789 0.88 EPHX2 (0.41) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL12995333 0.88 EPHX2 (0.42) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL12995349 0.88 EPHX2 (0.42) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL12995335 0.88 EPHX2 (0.43) GAAEPHX2EPHX1NPC1RAB9A
SCHEMBL12995337 0.88 EPHX2 (0.42) GAAEPHX2EPHX1NPC1RAB9A

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 7 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
WO-2007084413-A2 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2007-07-26 WO 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 GAA 667/4885EPHX2 2630/4885EPHX1 2993/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS GAA 667/4885EPHX2 2630/4885EPHX1 2993/4885

“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.