SCHEMBL4182553

SCHEMBL4182553

O=C(Cc1ccccc1[N+](=O)[O-])c1c(O)c2cccnc2n(-c2cccc(C(F)(F)F)c2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
ALDH1A1 P00352 3/20 0.48
POLB P06746 2/20 0.48
HTT P42858 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.48
HSP90AA1 P07900 1/20 0.48
CASP6 P55212 1/20 0.48
TP53 P04637 2/20 0.43
TRPV1 Q8NER1 1/20 0.40
LMNA P02545 3/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4D Q08499 1/20 0.38
CCKBR P32239 1/20 0.37
MAPK1 P28482 2/20 0.36

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
SCHEMBL4192220 0.89 PDE4B (0.39) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL4187214 0.88 POLB (0.45) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL2412734 0.88 FEN1 (0.43) MAPTSMN1; SMN2ALDH1A1HTTTDP1
SCHEMBL4182715 0.87 TP53 (0.45) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL4185694 0.87 TP53 (0.47) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL4187658 0.85 POLB (0.47) MAPTSMN1; SMN2POLBMEN1KMT2A
SCHEMBL4188055 0.85 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL4190805 0.85 TP53 (0.43) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL4183574 0.84 TP53 (0.44) MAPTSMN1; SMN2ALDH1A1POLBHTT
SCHEMBL4183644 0.83 TP53 (0.43) MAPTSMN1; SMN2ALDH1A1POLBHTT

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
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 MAPT 4865/4885SMN1; SMN2 4300/4885ALDH1A1 1422/4885

“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.