SCHEMBL3483984

SCHEMBL3483984

O=[N+]([O-])c1ccc(Oc2cccc3[nH]ccc23)c(Cl)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 5/20 0.66
KMT2A Q03164 6/20 0.54
MEN1 O00255 5/20 0.54
TRPA1 O75762 1/20 0.50
PDE7A Q13946 1/20 0.49
MAPT P10636 5/20 0.46
HPGD P15428 3/20 0.46
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SCN9A Q15858 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL13915643 0.80 RHEB (0.52) RHEBKMT2AMEN1TRPA1MAPT
SCHEMBL3484813 0.80 KMT2A (0.60) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL20535781 0.80 RHEB (1.00) RHEBKMT2AMEN1TRPA1MAPT
SCHEMBL11511746 0.79 PDE7A (0.71) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL6237528 0.79 KMT2A (0.65) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL30844464 0.78 KMT2A (0.52) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL3484554 0.78 KMT2A (0.52) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL22069578 0.78 HPGD (0.63) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL30098850 0.78 HPGD (0.63) KMT2AMEN1PDE7AMAPTHPGD
SCHEMBL3484703 0.78 RHEB (0.74) RHEBKMT2AMEN1TRPA1MAPT

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 3 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
CN-101611041-A Condensed heterocyclic compouds TAKEDA PHARMACEUTICAL (JP) 2009-12-23 CN 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 RHEB 1785/4885KMT2A 300/4885MEN1 2063/4885

“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.