SCHEMBL3598655

SCHEMBL3598655

O=[N+]([O-])c1ccc2c(C(O)(COc3ccccc3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.39
CNR2 P34972 2/20 0.39
CNR1 P21554 1/20 0.39
SERPINE1 P05121 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 2/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
KAT2B Q92831 1/20 0.38
CYP19A1 P11511 1/20 0.38
FAAH O00519 2/20 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
SCHEMBL3594288 0.90 ALDH1A1 (0.41) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3594486 0.88 ALDH1A1 (0.42) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3594473 0.88 DRD2 (0.44) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3585759 0.87 ALDH1A1 (0.41) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3598850 0.87 SERPINE1 (0.37) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3602216 0.86 ALDH1A1 (0.41) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3597912 0.85 ALDH1A1 (0.40) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3588767 0.85 KMT2A (0.40) SERPINE1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL3598247 0.85 ALDH1A1 (0.44) ACHECNR2CNR1SERPINE1ALDH1A1
SCHEMBL3585790 0.84 ALDH1A1 (0.39) ACHECNR2CNR1ALDH1A1KMT2A

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 ACHE 3194/4885CNR2 1364/4885CNR1 582/4885

“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.