SCHEMBL2551740

SCHEMBL2551740

CNS(=O)(=O)CCCCNC(=O)O

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
HIF1A Q16665 1/20 0.37
EPHX2 P34913 2/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADRA1A P35348 1/20 0.34
EPHX1 P07099 5/20 0.33
PRMT1 Q99873 1/20 0.32

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
SCHEMBL1653829 0.98 KDM4E (0.40) KDM4EMAPK1HIF1AEPHX2MEN1
SCHEMBL2549287 0.94 KDM4E (0.33) KDM4EMAPK1HIF1AEPHX2MEN1
SCHEMBL19002622 0.78 KDM4E (0.54) KDM4EMAPK1HIF1AALDH1A1ADRA1A
SCHEMBL1654415 0.75 TDP1 (0.58) MEN1KMT2AEPHX1
SCHEMBL1654402 0.75 LMNA (0.48) MEN1KMT2AALDH1A1
SCHEMBL3174690 0.75 KDM4E (0.50) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL11924793 0.74 TDP1 (0.61) MEN1KMT2A
SCHEMBL18713243 0.74 EPHX2 (0.43) KDM4EMAPK1HIF1AEPHX2MEN1
SCHEMBL691823 0.73 KDM4E (0.46) KDM4EMAPK1HIF1AMEN1KMT2A
SCHEMBL20665407 0.73 CYP2C19 (0.44) MAPK1MEN1KMT2AALDH1A1

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 6 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
EP-2552923-B1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R & D IRELAND (IE) 2014-03-26 EP disclosed
US-20130035341-A1 MACROCYCLIC INTEGRASE INHIBITORS JANSSEN R&D IRELAND (IE) 2013-02-07 US disclosed
EP-2552923-A1 MACROCYCLIC INTEGRASE INHIBITORS Janssen R&D Ireland (IE) 2013-02-06 EP disclosed
CN-102574854-A Macrocyclic integrase inhibitors ELANCO ANIMAL HEALTH IRELAND 2012-07-11 CN 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.