SCHEMBL7748706

SCHEMBL7748706

COc1ccc(OC)c(/C=N/NC(=N)N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
GAA P10253 6/20 0.53
ALDH1A1 P00352 6/20 0.53
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
MAPT P10636 5/20 0.52
HPGD P15428 4/20 0.52
GLA P06280 3/20 0.52
KLK7 P49862 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HCRTR1 O43613 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7748711 1.00 KDM4E (0.53) KDM4EMEN1KMT2AGAAALDH1A1
Hydrochloric Acid SCHEMBL5702993 0.99 KDM4E (0.52) KDM4EMEN1KMT2AGAAALDH1A1
Hydrochloric Acid SCHEMBL5702989 0.99 KDM4E (0.52) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL17044411 0.89 GRIN2D (0.59) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL17044409 0.89 GRIN2D (0.59) KDM4EMEN1KMT2AGAAALDH1A1
Hydrochloric Acid SCHEMBL5703030 0.87 KDM4E (0.60) KDM4EMEN1KMT2AGAAALDH1A1
Hydrochloric Acid SCHEMBL5703025 0.87 KDM4E (0.60) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL6746656 0.86 ADORA2A (0.57) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL6746658 0.86 ADORA2A (0.57) KDM4EMEN1KMT2AGAAALDH1A1
SCHEMBL13673661 0.84 KDM4E (0.54) KDM4EMEN1KMT2AGAAALDH1A1

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 KDM4E 1568/4885MEN1 2524/4885KMT2A 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.