SCHEMBL5545794

SCHEMBL5545794

CN(CCCn1c(=O)c(C(=O)NCCCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
CNR2 P34972 2/20 0.36
ACKR3 P25106 1/20 0.35
TMEM97 Q5BJF2 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
TSHR P16473 2/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 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
SCHEMBL5546979 0.95 L3MBTL1 (0.40) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL15163635 0.91 L3MBTL1 (0.41) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5545799 0.89 KDM4E (0.42) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5546941 0.89 L3MBTL1 (0.40) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL16010302 0.89 L3MBTL1 (0.38) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5545838 0.89 L3MBTL1 (0.40) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
Monoethanolamine SCHEMBL5546461 0.88 L3MBTL1 (0.39) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL15163678 0.88 L3MBTL1 (0.43) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL15163566 0.87 L3MBTL1 (0.38) KDM4ESMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL5540681 0.86 CNR2 (0.40) KDM4EL3MBTL1MEN1KMT2ATDP1

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
US-20150225399-A1 HIV INTEGRASE INHIBITORS VIIV HEALTHCARE CO (US) 2015-08-13 US disclosed
US-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS SHIONOGI & CO., LTD. (JP) 2014-09-11 US disclosed
EP-1720856-B1 HIV INTEGRASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-08-14 EP disclosed
US-20070124152-A1 Hiv Integrase Inhibitors GLAXOSMITHKLINE LLC 2007-05-31 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-20140256713-A1 2-OXONAPHTHYRIDINE-3-CARBOXAMIDES HIV INTEGRASE INHIBITORS BCDIN3D, DUT, SAMHD1 KDM4E 1268/4885SMN1; SMN2 4504/4885L3MBTL1 1411/4885
US-20150225399-A1 HIV INTEGRASE INHIBITORS ING2, API5, SAMHD1 KDM4E 1255/4885SMN1; SMN2 4786/4885L3MBTL1 1408/4885

“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.