SCHEMBL3484743

SCHEMBL3484743

CN1C(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2C1(C)C

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 1/20 0.54
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 6/20 0.50
KMT2A Q03164 6/20 0.50
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 8/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GPR55 Q9Y2T6 1/20 0.44
ATM Q13315 1/20 0.41
HSP90AA1 P07900 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.41
CYP2C9 P11712 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL3484686 0.84 PDE7A (0.44) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL3484209 0.82 PDE7A (0.54) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL3484327 0.79 PDE7A (0.53) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL3484533 0.79 PDE7A (0.53) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL3484779 0.77 KMT2A (0.50) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL3485062 0.74 PDE7A (0.56) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL2967458 0.73 PDE7A (0.78) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL3484395 0.73 PDE7A (0.57) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL27768920 0.73 PDE7A (0.51) PDE7AKDM4EMEN1KMT2AGAA
SCHEMBL11755932 0.72 PDE7A (0.76) PDE7AKDM4EMEN1KMT2AGAA

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 PDE7A 4340/4885KDM4E 621/4885MEN1 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.