SCHEMBL12995459

SCHEMBL12995459

Cc1nc(-c2c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)oc1C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.40
FAAH O00519 1/20 0.40
AURKA O14965 2/20 0.38
AURKB Q96GD4 2/20 0.38
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EPHX1 P07099 1/20 0.35
GAA P10253 1/20 0.35
CXCR3 P49682 1/20 0.35
TP53 P04637 1/20 0.35
KDR P35968 1/20 0.34
TEK Q02763 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL12995451 0.89 EPHX2 (0.39) EPHX2FAAHAURKAAURKBALDH1A1
SCHEMBL12995428 0.89 EPHX2 (0.51) EPHX2FAAHAURKAAURKBALDH1A1
SCHEMBL12995431 0.89 EPHX2 (0.39) EPHX2FAAHAURKAAURKBALDH1A1
SCHEMBL12995173 0.88 NPY1R (0.36) HRH3
SCHEMBL10096158 0.88 NPC1 (0.47) AURKAAURKBNPC1RAB9ATP53
SCHEMBL12995465 0.87 EPHX2 (0.37) EPHX2FAAHAURKAAURKBALDH1A1
SCHEMBL12995426 0.87 EPHX2 (0.39) EPHX2FAAHAURKAAURKBALDH1A1
SCHEMBL12995311 0.87 DYRK1A (0.34) HRH3
SCHEMBL12995425 0.86 EPHX2 (0.40) EPHX2FAAHAURKAAURKBNPC1
SCHEMBL12995474 0.86 EPHX2 (0.39) EPHX2FAAHAURKAAURKBALDH1A1

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 EPHX2 2630/4885FAAH 3963/4885AURKA 4459/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885FAAH 3963/4885AURKA 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.