SCHEMBL3483975

SCHEMBL3483975

O=[N+]([O-])c1ccc(Oc2ccc3ccsc3c2)c(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
PDE7A Q13946 1/20 0.59
MEN1 O00255 7/20 0.51
KMT2A Q03164 7/20 0.51
GAA P10253 2/20 0.51
PKM P14618 1/20 0.51
ALDH1A1 P00352 10/20 0.48
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GPR55 Q9Y2T6 1/20 0.45
HPGD P15428 2/20 0.43
GLA P06280 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.42
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSPB1 P04792 1/20 0.41

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
SCHEMBL6725914 0.80 PDE7A (0.66) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL10962798 0.78 PDE7A (0.63) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL3794276 0.78 TSHR (0.47) ALDH1A1MAPTLMNASMN1; SMN2HPGD
SCHEMBL3484240 0.78 PDE7A (0.42) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL2967458 0.77 PDE7A (0.78) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL11755932 0.76 PDE7A (0.76) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL11511746 0.76 PDE7A (0.71) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL10834183 0.76 PDE7A (0.56) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL11198374 0.76 PDE7A (0.76) KDM4EPDE7AMEN1KMT2AGAA
SCHEMBL3484765 0.75 KDM4E (0.59) KDM4EPDE7AMEN1KMT2AGAA

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 KDM4E 621/4885PDE7A 4340/4885MEN1 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.