SCHEMBL12995441

SCHEMBL12995441

O=C(Nc1ccc(-c2c(-c3ccno3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 17/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
FAAH O00519 4/20 0.37
GAA P10253 1/20 0.36
AADAC P22760 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL12995483 0.88 EPHX2 (0.46) EPHX2FAAHGAA
SCHEMBL12995452 0.88 AURKA (0.37) EPHX2AURKAAURKBFAAHGAA
SCHEMBL13053222 0.87 GAA (0.43) EPHX2AURKAAURKBFAAHGAA
SCHEMBL12995111 0.87 S1PR3 (0.35) HRH3
SCHEMBL10096151 0.87 NPC1 (0.48) EPHX2AURKAAURKB
SCHEMBL12995486 0.86 EPHX2 (0.46) EPHX2AURKAAURKBFAAHGAA
SCHEMBL12995442 0.86 EPHX2 (0.37) EPHX2AURKAAURKBFAAHGAA
SCHEMBL12995426 0.86 EPHX2 (0.39) EPHX2AURKAAURKBFAAHGAA
SCHEMBL12995333 0.86 EPHX2 (0.42) EPHX2AURKAAURKBFAAHGAA
SCHEMBL12995484 0.86 EPHX2 (0.49) EPHX2FAAHAADAC

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 EPHX2 2630/4885AURKA 4459/4885AURKB 3922/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885AURKA 4459/4885AURKB 3922/4885

“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.