SCHEMBL3483943

SCHEMBL3483943

O=C1Cc2ccc(Oc3ccc([N+](=O)[O-])cc3Cl)cc2N1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF2AK2 P19525 1/20 0.57
PDE7A Q13946 1/20 0.55
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 6/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
GAA P10253 1/20 0.48
PKM P14618 1/20 0.48
TDP2 O95551 1/20 0.48
HPGD P15428 1/20 0.46
GPR55 Q9Y2T6 1/20 0.45
CMA1 P23946 1/20 0.45
AHR P35869 1/20 0.45
EGFR P00533 1/20 0.44
ERBB2 P04626 1/20 0.44
PGR P06401 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 2/20 0.43
CCNB2 O95067 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
SCHEMBL3484160 0.91 PDE7A (0.55) EIF2AK2PDE7AKDM4EALDH1A1MAPT
SCHEMBL3484884 0.81 EIF2AK2 (0.62) EIF2AK2PDE7ATDP2CMA1AHR
SCHEMBL2993057 0.79 TDP2 (0.67) EIF2AK2KDM4EALDH1A1MAPTMEN1
SCHEMBL3485049 0.77 AHR (0.51) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3483928 0.77 KMT2A (0.51) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3484019 0.77 PDE7A (0.55) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3484395 0.76 PDE7A (0.57) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL3484719 0.76 PDE7A (0.50) PDE7AKDM4EALDH1A1MAPTMEN1
SCHEMBL28710777 0.75 MAOB (0.46) EIF2AK2
SCHEMBL29438667 0.75 MAOB (0.46) EIF2AK2

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 EIF2AK2 1327/4885PDE7A 4340/4885KDM4E 621/4885

“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.