SCHEMBL3595524

SCHEMBL3595524

O=[N+]([O-])c1ccc2c(C(O)(CC=Cc3cccnc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.37
CYP19A1 P11511 3/20 0.36
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
MAPT P10636 7/20 0.36
KDM4E B2RXH2 4/20 0.36
GLA P06280 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 4/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 1/20 0.35
UBE2N P61088 1/20 0.35
VCP P55072 1/20 0.34
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL3595518 1.00 DHFR (0.37) DHFRCYP19A1CYP11B1CYP11B2MAPT
SCHEMBL3602046 0.87 ALDH1A1 (0.40) DHFRMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3602047 0.87 ALDH1A1 (0.40) DHFRMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL3598247 0.83 ALDH1A1 (0.44) CYP19A1MAPTKDM4EPDE4APDE4B
SCHEMBL3596002 0.82 HTR2C (0.44) CYP19A1CYP11B1CYP11B2MAPTKDM4E
SCHEMBL3587785 0.82 ALDH1A1 (0.41) DHFRMAPTPDE4APDE4BPDE4C
SCHEMBL3585759 0.80 ALDH1A1 (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3602216 0.79 ALDH1A1 (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3585790 0.79 ALDH1A1 (0.39) MAPTKDM4EPDE4APDE4BPDE4C
SCHEMBL3597912 0.78 ALDH1A1 (0.40) MAPTPDE4APDE4BPDE4CPDE4D

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 2 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
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 DHFR 3260/4885CYP19A1 285/4885CYP11B1 20/4885

“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.