SCHEMBL2114199

SCHEMBL2114199

O=C(NCC(=O)N1CC(C(=O)Nc2cccc3ccccc23)C2NCC=C21)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.40
PLAU P00749 1/20 0.39
PREP P48147 2/20 0.38
GSK3B P49841 1/20 0.38
GAA P10253 1/20 0.38
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
NCOR2 Q9Y618 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL2114196 0.80 PREP (0.44) KDM4EPLAUPREPGSK3BGAA
SCHEMBL2631844 0.80 PREP (0.44) KDM4EPLAUPREPGSK3BGAA
SCHEMBL2115502 0.77 PLAU (0.36) KDM4EPLAUPREPGSK3BHDAC1
SCHEMBL2114975 0.74 POLB (0.42) KDM4EGAAALDH1A1LMNAMAPK1
SCHEMBL17554691 0.74 PREP (0.45) KDM4EPLAUPREPGSK3BGAA
SCHEMBL2632174 0.70 PREP (0.41) KDM4EPREPHDAC8ALDH1A1USP2
SCHEMBL2115504 0.70 PREP (0.41) KDM4EPREPHDAC8ALDH1A1USP2
SCHEMBL13049935 0.69 PREP (0.40) KDM4EPLAUPREPHDAC1HDAC2
SCHEMBL2115499 0.69 PREP (0.40) KDM4EPLAUPREPHDAC1HDAC2
SCHEMBL2631847 0.69 PREP (0.40) KDM4EPLAUPREPHDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2434889-B1 IAP INHIBITORS TETRALOGIC BIRINAPANT UK LTD (GB) 2016-03-09 EP disclosed
US-20130274278-A1 IAP INHIBITORS TETRALOGIC PHARM CORP (US) 2013-10-17 US disclosed
US-8481495-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS CORPORATION (US) 2013-07-09 US disclosed
US-20120094917-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP (US) 2012-04-19 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-20130274278-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 KDM4E 2828/4885PLAU 1261/4885PREP 195/4885
US-20120094917-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 KDM4E 2828/4885PLAU 1261/4885PREP 195/4885

“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.