SCHEMBL10144944

SCHEMBL10144944

O=C(N[C@@H](C(=O)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2cnc([C@@H]3CCCN3C(=O)[C@H](NC(=O)C3CC3)c3ccccc3)[nH]2)cc1)c1ccccc1)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.51
CYP2C9 P11712 7/20 0.46
CYP2C19 P33261 6/20 0.46
CYP3A4 P08684 6/20 0.46
CYP2D6 P10635 2/20 0.46
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PABPC1 P11940 1/20 0.37
ACACB O00763 1/20 0.37
PRCP P42785 1/20 0.36
ALDH1A1 P00352 2/20 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
SCHEMBL10145587 0.92 ACACB (0.42) KCNH2CYP2C9CYP3A4ACACBPRCP
SCHEMBL10145032 0.91 KCNH2 (0.53) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL10144994 0.90 ACACB (0.48) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL10144990 0.90 ACACB (0.48) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL12067894 0.89 KCNH2 (0.55) KCNH2CYP2C9CYP2C19CYP3A4CYP2D6
SCHEMBL10144959 0.89 PPIB (0.43) KCNH2CYP2C9CYP2C19CYP3A4NPC1
SCHEMBL10144970 0.88 POLB (0.41) KCNH2CYP2C9CYP3A4MEN1MAPT
SCHEMBL10144910 0.87 KCNH2 (0.49) KCNH2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL10144940 0.86 CYP3A4 (0.48) KCNH2CYP2C9CYP3A4CYP2D6CYP1A2
SCHEMBL10144856 0.86 KCNH2 (0.51) KCNH2CYP2C9CYP3A4CYP2D6CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-20150038501-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. 2015-02-05 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-8865756-B2 Inhibitors of HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2014-10-21 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20130296311-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2013-11-07 US disclosed
US-20120115855-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2012-05-10 US disclosed
WO-2011150243-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2011-12-01 WO disclosed
WO-2010065668-A1 INHIBITORS OF HCV NS5A PRESIDIO PHARMACEUTICALS, INC. (US) 2010-06-10 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 (3 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-20130296311-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KCNH2 4690/4885CYP2C9 3984/4885CYP2C19 4201/4885
US-20150038501-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KCNH2 4690/4885CYP2C9 3984/4885CYP2C19 4201/4885
US-20120115855-A1 INHIBITORS OF HCV NS5A HAVCR2, MAVS, EIF2AK2 KCNH2 4690/4885CYP2C9 3984/4885CYP2C19 4201/4885

“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.