SCHEMBL4187889

SCHEMBL4187889

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 4/20 0.45
POLB P06746 2/20 0.45
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CASP6 P55212 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
AR P10275 1/20 0.43
PDE1A P54750 1/20 0.39
PDE1B Q01064 1/20 0.39
TP53 P04637 1/20 0.38
PDE4A P27815 1/20 0.37
LMNA P02545 4/20 0.36
NPSR1 Q6W5P4 2/20 0.36
GAA P10253 1/20 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
SCHEMBL4194472 0.89 AR (0.42) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL2408183 0.88 AR (0.51) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL4193996 0.88 AR (0.45) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL4183635 0.87 CYP1A2 (0.42) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL4189836 0.87 TP53 (0.42) SMN1; SMN2MAPTPOLBALDH1A1KDM4E
SCHEMBL4194544 0.85 PDE1A (0.52) SMN1; SMN2MAPTPOLBALDH1A1PDE1A
SCHEMBL4183676 0.85 PDE1A (0.40) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL4197140 0.85 AR (0.43) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL4191899 0.84 PDE1A (0.46) SMN1; SMN2MAPTPOLBHTTALDH1A1
SCHEMBL4185765 0.83 PDE1A (0.46) SMN1; SMN2MAPTPOLBHTTALDH1A1

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 SMN1; SMN2 4300/4885MAPT 4865/4885POLB 1630/4885

“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.