SCHEMBL1228459

SCHEMBL1228459

CCCC(C(=O)OC)c1c(C)nc(-c2cccc3ncccc23)nc1-c1ccc(C)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 5/20 0.42
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
TACR3 P29371 1/20 0.35
CNR2 P34972 1/20 0.35
XIAP P98170 1/20 0.34
BIRC2 Q13490 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
ACVR1 Q04771 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
SCHEMBL1228047 0.90 PSIP1 (0.52) PSIP1ACVR1
SCHEMBL1228285 0.82 PSIP1 (0.40) PSIP1MAPTHTT
SCHEMBL1227580 0.82 PSIP1 (0.42) PSIP1
SCHEMBL1227800 0.82 PSIP1 (0.39) PSIP1
SCHEMBL1227643 0.82 PSIP1 (0.39) PSIP1MAPTHTT
SCHEMBL1226474 0.80 PSIP1 (0.45) PSIP1MAPT
SCHEMBL1227965 0.80 PSIP1 (0.39) PSIP1
SCHEMBL1227821 0.77 MEN1 (0.37) PSIP1MAPTHTT
SCHEMBL1227699 0.76 ALDH1A1 (0.41) MAPT
SCHEMBL1226367 0.76 KDM4E (0.47) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 US claimed
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2015-02-19 US disclosed
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2015-02-19 US disclosed
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2015-02-19 US disclosed
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 US disclosed
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 US disclosed
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 US disclosed
EP-2462122-A1 NOVEL VIRAL REPLICATION INHIBITORS Katholieke Universiteit Leuven (BE) 2012-06-13 EP disclosed
US-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 US disclosed
US-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 US disclosed
US-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 US disclosed
WO-2011015641-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2011-02-10 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 (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-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 PSIP1 1049/4885MAPT 2788/4885HTT 2294/4885
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 PSIP1 1049/4885MAPT 2788/4885HTT 2294/4885

“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.