SCHEMBL7750418

SCHEMBL7750418

COc1ccc(C=NNC(=N)N)c(OC)c1OC

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.71
KDM4E B2RXH2 7/20 0.52
LMNA P02545 6/20 0.52
HPGD P15428 3/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.50
GFER P55789 2/20 0.50
L3MBTL1 Q9Y468 4/20 0.49
ALDH1A1 P00352 5/20 0.48
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.45
PARP1 P09874 1/20 0.45
PARP2 Q9UGN5 1/20 0.45
CYP1A1 P04798 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
SCHEMBL7750411 1.00 MAPT (0.71) MAPTKDM4ELMNAHPGDNPC1
Hydrochloric Acid SCHEMBL915551 0.99 MAPT (0.69) MAPTKDM4ELMNAHPGDNPC1
Hydrochloric Acid SCHEMBL915552 0.99 MAPT (0.69) MAPTKDM4ELMNAHPGDNPC1
SCHEMBL529833 0.87 MAPT (0.55) MAPTKDM4ELMNAHPGDNPC1
SCHEMBL530029 0.87 MAPT (0.55) MAPTKDM4ELMNAHPGDNPC1
SCHEMBL7748688 0.87 KDM4E (0.70) MAPTKDM4ELMNAHPGDNPC1
SCHEMBL7748683 0.87 KDM4E (0.70) MAPTKDM4ELMNAHPGDNPC1
Hydrochloric Acid SCHEMBL5702981 0.86 KDM4E (0.68) MAPTKDM4ELMNAHPGDNPC1
Hydrochloric Acid SCHEMBL5702983 0.86 KDM4E (0.68) MAPTKDM4ELMNAHPGDNPC1
SCHEMBL17044505 0.85 MAPT (0.56) MAPTKDM4ELMNAHPGDNPC1

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
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-2015120446-A1 COMPOSITIONS AND METHODS FOR MODULATING SLEEP AND WAKEFULENESS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-13 WO disclosed
US-8309609-B2 Use of benzylideneaminoguanidines and hydroxyguanidines as melanocortin receptor ligands ANAMAR AB (SE) 2012-11-13 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 (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 MAPT 2646/4885KDM4E 1568/4885LMNA 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.