SCHEMBL7748688

SCHEMBL7748688

COc1cccc(C=NNC(=N)N)c1OC

nearest known ligand 0.70

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 10/20 0.70
HPGD P15428 5/20 0.70
LMNA P02545 3/20 0.70
POLB P06746 4/20 0.56
MAPT P10636 5/20 0.54
ALDH1A1 P00352 6/20 0.54
KMT2A Q03164 4/20 0.54
MEN1 O00255 3/20 0.54
UBE2N P61088 1/20 0.54
HTT P42858 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
PTBP1 P26599 1/20 0.52
NPC1 O15118 1/20 0.51
RECQL P46063 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 2/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL7748683 1.00 KDM4E (0.70) KDM4EHPGDLMNAPOLBMAPT
Hydrochloric Acid SCHEMBL5702981 0.99 KDM4E (0.68) KDM4EHPGDLMNAPOLBMAPT
Hydrochloric Acid SCHEMBL5702983 0.99 KDM4E (0.68) KDM4EHPGDLMNAPOLBMAPT
SCHEMBL7750411 0.87 MAPT (0.71) KDM4EHPGDLMNAPOLBMAPT
SCHEMBL7750418 0.87 MAPT (0.71) KDM4EHPGDLMNAPOLBMAPT
SCHEMBL7743078 0.87 MEN1 (0.59) KDM4EHPGDLMNAPOLBMAPT
SCHEMBL7743079 0.87 MEN1 (0.59) KDM4EHPGDLMNAPOLBMAPT
SCHEMBL23996047 0.86 KDM4E (0.70) KDM4EHPGDLMNAPOLBMAPT
SCHEMBL7748712 0.86 KDM4E (0.70) KDM4EHPGDLMNAPOLBMAPT
SCHEMBL7748708 0.86 KDM4E (0.70) KDM4EHPGDLMNAPOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 WO claimed
US-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-09-03 US disclosed
WO-2001025192-A1 GUANIDINE DERIVATIVES AND THEIR USE IN THE PRODUCTION OF A MEDICAMENT FOR BLOCKING XANTHINE OXIDASE/DEHYDROGENASE MELACURE THERAPEUTICS AB (SE) 2001-04-12 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-20150246140-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULNESS HCRTR2, HCRTR1, NPSR1 KDM4E 1568/4885HPGD 3943/4885LMNA 866/4885

“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.