SCHEMBL12282948

SCHEMBL12282948

CC(=O)NCCCCCCN(C)C

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.70
MAPK1 P28482 1/20 0.70
HIF1A Q16665 1/20 0.70
PAOX Q6QHF9 4/20 0.57
ADRA1A P35348 1/20 0.55
DNM1 Q05193 2/20 0.50
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
KDM4A O75164 5/20 0.43
KDM4C Q9H3R0 5/20 0.43
KDM5A P29375 1/20 0.43
KDM7A Q6ZMT4 1/20 0.43
PHF8 Q9UPP1 1/20 0.43
KDM2A Q9Y2K7 1/20 0.43

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
SCHEMBL16303439 1.00 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL28958163 1.00 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL885320 0.98 KDM4E (0.65) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL427283 0.91 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25478737 0.90 KDM4E (0.61) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL25837278 0.87 KDM4E (0.70) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14739904 0.83 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL1847535 0.83 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL14740196 0.83 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A
SCHEMBL1900654 0.83 KDM4E (1.00) KDM4EMAPK1HIF1APAOXADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-8716293-B2 Macrocyclic integrase inhibitors JANSSEN R&D IRELAND (IE) 2014-05-06 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
WO-2011121105-A1 MACROCYCLIC INTEGRASE INHIBITORS TIBOTEC PHARMACEUTICALS (IE) 2011-10-06 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 (1 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-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS TYMP, PIM1, TYMS KDM4E 911/4885MAPK1 2190/4885HIF1A 4460/4885

“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.