SCHEMBL12995452

SCHEMBL12995452

O=C(Nc1ccc(-c2c(-c3cnco3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)NC1CCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
EPHX2 P34913 12/20 0.36
GAA P10253 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
JAK3 P52333 1/20 0.35
FAAH O00519 2/20 0.35
CXCR3 P49682 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
EPHX1 P07099 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL12995441 0.88 EPHX2 (0.39) AURKAAURKBEPHX2GAAHRH3
SCHEMBL12995182 0.87 HRH3 (0.34) HRH3JAK3NPC1RAB9A
SCHEMBL10096157 0.87 NPC1 (0.47) AURKAAURKBEPHX2NPC1RAB9A
SCHEMBL13053222 0.86 GAA (0.43) AURKAAURKBEPHX2GAAHRH3
SCHEMBL12995310 0.86 HRH3 (0.33) HRH3JAK3
SCHEMBL12995486 0.86 EPHX2 (0.46) AURKAAURKBEPHX2GAAHRH3
SCHEMBL12995483 0.86 EPHX2 (0.46) EPHX2GAAFAAHCXCR3NPC1
SCHEMBL12995469 0.85 AURKA (0.39) AURKAAURKBEPHX2GAAHRH3
SCHEMBL12995451 0.85 EPHX2 (0.39) AURKAAURKBEPHX2GAAHRH3
SCHEMBL12995440 0.85 EPHX2 (0.39) AURKAAURKBEPHX2GAAHRH3

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

“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.