SCHEMBL3604787

SCHEMBL3604787

CN(Cc1ccccc1)CC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
KAT2B Q92831 1/20 0.37
PLA2G2A P14555 1/20 0.36
PYCR1 P32322 1/20 0.36
FAAH O00519 1/20 0.36
MGLL Q99685 1/20 0.36
MAPK1 P28482 1/20 0.36
ACHE P22303 1/20 0.36
S1PR3 Q99500 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
SCHEMBL13254070 0.89 PDE4A (0.37) TMEM97SIGMAR1PDE4APDE4BPDE4C
SCHEMBL3585759 0.86 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3602216 0.85 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3600936 0.84 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3585790 0.84 ALDH1A1 (0.39) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3594288 0.84 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3597912 0.84 ALDH1A1 (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3588767 0.84 KMT2A (0.40) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3598247 0.83 ALDH1A1 (0.44) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL3587785 0.82 ALDH1A1 (0.41) PDE4APDE4BPDE4CPDE4DALDH1A1

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
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
US-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-07-29 US disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 EP disclosed
EP-1930320-A1 NOVEL FUSED PYRROLE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2008-06-11 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-20100190768-A1 NOVEL FUSED PYROLE DERIVATIVE NR3C1, NR3C2, NR0B1 TMEM97 3690/4885SIGMAR1 588/4885PDE4A 2378/4885

“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.