SCHEMBL3596002

SCHEMBL3596002

O=[N+]([O-])c1ccc2c(C(O)(CNc3cccnc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.44
MAPT P10636 3/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PDE5A O76074 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP11B1 P15538 4/20 0.37
CYP11B2 P19099 4/20 0.37
CYP19A1 P11511 3/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
NR1I2 O75469 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
SCHEMBL3603757 0.92 ALDH1A1 (0.38) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL3593102 0.91 PDE4A (0.38) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3603046 0.86 ALDH1A1 (0.38) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3598154 0.85 KMT2A (0.38) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3590898 0.84 PIN1 (0.39) MEN1KMT2ANR1I2
SCHEMBL3599611 0.84 YES1 (0.38) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3605698 0.84 PLA2G2A (0.39) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL3593106 0.84 TP53 (0.41) MAPTPDE4APDE4BPDE4CPDE4D
SCHEMBL3596936 0.83 NPC1 (0.41) MAPTNPSR1PDE4APDE4BPDE4C
SCHEMBL3603384 0.83 L3MBTL1 (0.42) MAPTNPSR1PDE4APDE4BPDE4C

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 HTR2C 3888/4885MAPT 4708/4885NPSR1 535/4885

“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.