SCHEMBL3485192

SCHEMBL3485192

O=C1Cc2c(Oc3ccc([N+](=O)[O-])cc3Cl)ccc(F)c2N1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HSPB1 P04792 2/20 0.40
GAA P10253 1/20 0.40
PKM P14618 1/20 0.40
TDP2 O95551 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL3484719 0.92 PDE7A (0.50) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3483928 0.81 KMT2A (0.51) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3485049 0.78 AHR (0.51) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL11511746 0.75 PDE7A (0.71) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL4965383 0.73 PDE7A (0.63) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3484049 0.71 AHR (0.40) PDE7A
SCHEMBL3483943 0.71 EIF2AK2 (0.57) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL3484160 0.71 PDE7A (0.55) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL4031207 0.70 KMT2A (0.58) PDE7AMEN1KMT2AKDM4EALDH1A1
SCHEMBL11030826 0.70 PDE7A (0.53) PDE7AMEN1KMT2AKDM4EALDH1A1

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 PDE7A 4340/4885MEN1 2063/4885KMT2A 300/4885

“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.