SCHEMBL12995337

SCHEMBL12995337

O=C(Nc1ccc(-c2c(Br)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.42
GAA P10253 1/20 0.41
AURKA O14965 1/20 0.39
AURKB Q96GD4 1/20 0.39
HRH3 Q9Y5N1 2/20 0.39
EPHX1 P07099 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
FAAH O00519 2/20 0.38
CXCR3 P49682 1/20 0.38

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
SCHEMBL12995349 0.90 EPHX2 (0.42) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995335 0.90 EPHX2 (0.43) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995333 0.90 EPHX2 (0.42) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995381 0.90 EPHX2 (0.41) EPHX2GAAAURKAAURKBHRH3
SCHEMBL14467789 0.90 EPHX2 (0.41) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995368 0.89 EPHX2 (0.41) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995370 0.89 EPHX2 (0.42) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995364 0.89 EPHX2 (0.40) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995378 0.89 EPHX2 (0.40) EPHX2GAAAURKAAURKBHRH3
SCHEMBL12995371 0.89 EPHX2 (0.40) EPHX2GAAAURKAAURKBHRH3

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-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 EPHX2 2630/4885GAA 667/4885AURKA 4459/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885GAA 667/4885AURKA 4459/4885

“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.