SCHEMBL17434366

SCHEMBL17434366

O=c1c2cc([N+](=O)[O-])ccc2n(CC2CC2)c(=O)n1CC1CC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.51
PDE4A P27815 4/20 0.51
PDE4B Q07343 4/20 0.51
PDE4C Q08493 4/20 0.51
PDE4D Q08499 4/20 0.51
PARG Q86W56 9/20 0.50
CYP1A2 P05177 1/20 0.48
KMT2A Q03164 3/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.43
ATM Q13315 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
SCHEMBL17434382 0.93 PARG (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434446 0.93 CYP1A2 (0.60) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434381 0.86 MEN1 (0.51) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434189 0.82 CYP1A2 (0.56) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL20568859 0.80 MAPT (0.43) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434383 0.78 PARG (0.48) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL17434620 0.78 CYP1A2 (0.73) PDE4APDE4BPDE4CPDE4DPARG
SCHEMBL11857087 0.78 MAPT (0.44) PDE5APDE4APDE4BPDE4CPDE4D
Bromide SCHEMBL8857427 0.77 SIRT2 (0.46) PARGCYP1A2KMT2AMAPTMEN1
SCHEMBL17969625 0.77 CA12 (0.59) PDE5APDE4APDE4BPDE4CPDE4D

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834520-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-12-05 US disclosed
EP-3192791-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-07-19 EP disclosed
US-20160229814-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-08-11 US disclosed
EP-2975031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-01-20 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-20160229814-A1 HETEROCYCLIC COMPOUND RORB, RORC, RORA PDE5A 1774/4885PDE4A 2341/4885PDE4B 1381/4885

“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.