SCHEMBL3485352

SCHEMBL3485352

O=C1Nc2cccc(O)c2C12CC2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
PGR P06401 4/20 0.43
BACE1 P56817 1/20 0.41
MAPT P10636 4/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.36
TP53 P04637 1/20 0.36
CHRM2 P08172 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
KCNH2 Q12809 1/20 0.35
TNKS O95271 3/20 0.34
TNKS2 Q9H2K2 3/20 0.34
DDB1 Q16531 2/20 0.33
CRBN Q96SW2 2/20 0.33
XBP1 P17861 1/20 0.33
PDE7A Q13946 1/20 0.33
USP2 O75604 1/20 0.33
HPN P05981 1/20 0.33

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
SCHEMBL29444501 0.79 OPRL1 (0.46) KMT2AMEN1ALDH1A1CHRM2CYP3A4
SCHEMBL17556137 0.78 TNKS (0.49) PGRBACE1TNKSTNKS2PDE7A
SCHEMBL29622070 0.78 TNKS (0.49) PGRBACE1TNKSTNKS2PDE7A
SCHEMBL29621919 0.78 PGR (0.44) KMT2AMEN1PGRBACE1MAPT
SCHEMBL24455096 0.77 AKR1B1 (0.44) PGRBACE1MAPTALDH1A1TNKS
SCHEMBL31472193 0.77 TNKS (0.50) PGRBACE1MAPTTNKSTNKS2
SCHEMBL29723330 0.77 TNKS (0.50) PGRBACE1TP53TNKSTNKS2
SCHEMBL29621945 0.77 AKR1B1 (0.44) PGRBACE1MAPTALDH1A1TNKS
SCHEMBL23442096 0.77 PGR (0.43) KMT2AMEN1PGRBACE1TNKS
SCHEMBL17556111 0.77 TNKS (0.50) PGRBACE1TP53TNKSTNKS2

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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-07 US disclosed
EP-2103620-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-09-23 EP 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-20100004238-A1 FUSED HETEROCYCLIC COMPOUND ERBB2, ROS1, FLT3 KMT2A 300/4885MEN1 2063/4885PGR 502/4885

“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.