SCHEMBL4194472

SCHEMBL4194472

O=c1c2c(Cc3ccccc3[N+](=O)[O-])n[nH]c2c2cccnc2n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE4B Q07343 3/20 0.36
PDE4D Q08499 3/20 0.36
PDE4A P27815 3/20 0.36
KMT2A Q03164 3/20 0.34
HTT P42858 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 2/20 0.34
HSP90AA1 P07900 1/20 0.34
CASP6 P55212 1/20 0.34
PDE4C Q08493 2/20 0.33
IDO1 P14902 1/20 0.33

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
SCHEMBL4187889 0.89 SMN1; SMN2 (0.45) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4195939 0.88 PDE1A (0.41) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4192024 0.87 PDE1A (0.40) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4187587 0.87 AR (0.43) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4195974 0.87 PDE1A (0.40) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL2408183 0.87 AR (0.51) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4192191 0.86 ADORA2A (0.42) ARPDE1APDE1BPDE4BPDE4D
SCHEMBL4197165 0.85 PDE1A (0.51) PDE1APDE1BPDE4BPDE4DPDE4A
SCHEMBL4187720 0.84 PDE1A (0.45) PDE1APDE1BPDE4BPDE4DPDE4A
SCHEMBL4186970 0.84 PDE1A (0.44) PDE1APDE1BPDE4BPDE4DPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP claimed
EP-1925617-B1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA PHARM CO LTD (JP) 2012-11-14 EP disclosed
US-8193356-B2 Heterocycle compound, and production process and application thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof ASKA PHARMACEUTICAL CO., LTD. (JP) 2009-05-21 US disclosed
EP-1925617-A1 HETEROCYCLIC COMPOUND, AND PRODUCTION PROCESS AND USE THEREOF ASKA Pharmaceutical Co., Ltd. (JP) 2008-05-28 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-20090131467-A1 Heterocycle Compound, and Production Process and Application Thereof PDE3B, PDE4B, PDE7A AR 4032/4885PDE1A 26/4885PDE1B 21/4885

“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.