SCHEMBL4206262

SCHEMBL4206262

Oc1ccc(N2C=Cc3ccccc3C2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
GAA P10253 2/20 0.50
HDAC3 O15379 1/20 0.36
PARP1 P09874 1/20 0.34
HPGD P15428 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B3 P37058 1/20 0.33
HSP90AA1 P07900 2/20 0.32
PKM P14618 2/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MGLL Q99685 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1H3 Q13133 1/20 0.32
DRD4 P21917 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL30284584 0.85 NPC1 (0.44) KMT2AMEN1GAAHDAC3PARP1
SCHEMBL1553150 0.85 NPC1 (0.44) KMT2AMEN1GAAHDAC3PARP1
SCHEMBL29809356 0.84 RAB9A (0.42) KMT2AMEN1GAAHDAC3PARP1
SCHEMBL7901284 0.84 RAB9A (0.42) KMT2AMEN1GAAHDAC3PARP1
SCHEMBL30633069 0.84 NPC1 (0.43) KMT2AMEN1HDAC3PARP1HPGD
SCHEMBL1356606 0.84 NPC1 (0.43) KMT2AMEN1HDAC3PARP1HPGD
SCHEMBL31612033 0.84 NPC1 (0.43) KMT2AMEN1HDAC3PARP1HPGD
SCHEMBL19470797 0.81 HDAC3 (0.35) KMT2AMEN1GAAHDAC3PARP1
SCHEMBL15251305 0.81 PARP1 (0.33) KMT2AMEN1GAAHDAC3PARP1
SCHEMBL8132033 0.81 CA12 (0.44) KMT2AMEN1HDAC3HPGDNPC1

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-9078888-B2 Nuclear receptor binding agents GTX, INC. (US) 2015-07-14 US disclosed
US-20090030036-A1 Nuclear receptor binding agents GTX, INC. 2009-01-29 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-20090030036-A1 Nuclear receptor binding agents NR0B1, NR2E3, NR0B2 KMT2A 3860/4885MEN1 3769/4885GAA 2284/4885

“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.