SCHEMBL12995407

SCHEMBL12995407

CN(C)N=Cc1c(-c2ccc(NC(=O)NC3CCC3)cc2)n(C2CCC2)c2cc(OC3CCOCC3)ccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 10/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
EPHX1 P07099 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
CXCR3 P49682 1/20 0.36
AURKA O14965 1/20 0.36
AURKB Q96GD4 1/20 0.36
FAAH O00519 2/20 0.35
HRH3 Q9Y5N1 3/20 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
SCHEMBL13198311 0.91 KDR (0.39) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL12995368 0.89 EPHX2 (0.41) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL12995411 0.89 NPC1 (0.39) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL12995099 0.88 HRH3 (0.34) NPC1RAB9AHRH3
SCHEMBL12995414 0.87 NPC1 (0.48) EPHX2NPC1RAB9AEPHX1GAA
SCHEMBL12995274 0.86 HRH3 (0.34) HRH3
SCHEMBL12995409 0.86 GAA (0.41) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL12995381 0.85 EPHX2 (0.41) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL13215081 0.85 GAA (0.40) EPHX2NPC1RAB9AEPHX1ALDH1A1
SCHEMBL12995375 0.85 EPHX2 (0.37) EPHX2NPC1RAB9AEPHX1ALDH1A1

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 3 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-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 2630/4885NPC1 87/4885RAB9A 2829/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS EPHX2 2630/4885NPC1 87/4885RAB9A 2829/4885

“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.