SCHEMBL4287850

SCHEMBL4287850

Oc1ccc(C2C=Cc3ccccc3N2)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 4/20 0.40
GAA P10253 3/20 0.40
AR P10275 1/20 0.40
IDE P14735 1/20 0.40
MAPT P10636 2/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
JAK2 O60674 1/20 0.32
MECP2 P51608 1/20 0.31
MBD2 Q9UBB5 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8558204 0.85 MAPT (0.41) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL17634322 0.83 KMT2A (0.41) KMT2AMEN1GAAARMAPT
SCHEMBL15748613 0.75 GAA (0.35) KMT2AMEN1GAAMAPT
SCHEMBL29763588 0.74 TNKS2 (0.34) KMT2AMEN1GAAARIDE
SCHEMBL18562458 0.72 MEN1 (0.45) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL26676098 0.72 MAPT (0.31) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL15237630 0.71 APP (0.36) MAPTALDH1A1HSD17B10ESR2HPGD
SCHEMBL16422030 0.70 APAF1 (0.39) KMT2AMEN1GAAMAPTRAB9A
SCHEMBL6111309 0.70 GAA (0.44) KMT2AMEN1GAAMAPT
SCHEMBL30695372 0.69 PBRM1 (0.41) KMT2AMEN1GAAMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242130-B2 Flavanoids and isoflavanoids for the prevention and treatment of cardiovascular diseases RESVERLOGIX CORP. (CA) 2012-08-14 US disclosed
US-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES RESVERLOGIX CORP. (CA) 2009-10-15 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-20090259048-A1 FLAVANOIDS AND ISOFLAVANOIDS FOR THE PREVENTION AND TREATMENT OF CARDIOVASCULAR DISEASES APOB, APOL1, FABP3 KMT2A 2842/4885MEN1 4653/4885GAA 1559/4885

“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.