SCHEMBL7743100

SCHEMBL7743100

COc1cc(C=NNC(=N)N)cc(OC)c1OC

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
KMT2A Q03164 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.53
MEN1 O00255 2/20 0.53
POLB P06746 4/20 0.52
KDM4E B2RXH2 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.51
UBE2N P61088 1/20 0.51
GAA P10253 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
MMP9 P14780 1/20 0.49

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
SCHEMBL7743096 1.00 HPGD (0.68) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6515900 0.98 HPGD (0.66) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL6515894 0.98 HPGD (0.66) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
Acetic Acid SCHEMBL917024 0.93 HPGD (0.59) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
Acetic Acid SCHEMBL917026 0.93 HPGD (0.59) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL17044486 0.90 SMN1; SMN2 (0.58) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL17044485 0.90 SMN1; SMN2 (0.58) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL5703189 0.89 SMN1; SMN2 (0.57) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL5703185 0.89 SMN1; SMN2 (0.57) HPGDSMN1; SMN2KMT2AL3MBTL1MEN1
SCHEMBL7748698 0.88 KMT2A (0.69) HPGDSMN1; SMN2KMT2AMEN1POLB

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
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 HPGD 3943/4885SMN1; SMN2 1337/4885KMT2A 632/4885

“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.