SCHEMBL3594151

SCHEMBL3594151

CCOC(=O)CCc1ccc(S(=O)(=O)C2CN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)C2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 4/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
P2RX7 Q99572 1/20 0.32
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PDE4B Q07343 2/20 0.31
PDE4D Q08499 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
LMNA P02545 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL3603278 0.94 BCHE (0.35) POLBALDH1A1KMT2AMAPK1TDP1
SCHEMBL3594858 0.93 PLA2G4A (0.34) POLBALDH1A1KMT2AMAPK1P2RX7
SCHEMBL13254234 0.88 L3MBTL1 (0.34) ALDH1A1BCHEACHEMAPTCYP3A4
SCHEMBL3588822 0.87 BCHE (0.36) ALDH1A1KMT2AMAPK1BCHEACHE
SCHEMBL3599548 0.86 CA2 (0.38) BCHEACHE
SCHEMBL3599552 0.86 CA2 (0.38) BCHEACHE
SCHEMBL3597869 0.85 ALDH1A1 (0.35) ALDH1A1KMT2AMAPK1TDP1BCHE
SCHEMBL3598302 0.85 BCHE (0.36) POLBALDH1A1KMT2AMAPK1BCHE
SCHEMBL3590631 0.84 BCHE (0.35) POLBALDH1A1KMT2AMAPK1BCHE
SCHEMBL3591966 0.83 ALDH1A1 (0.36) POLBALDH1A1MAPK1P2RX7BCHE

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 4 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

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 POLB 4635/4885ALDH1A1 4118/4885KMT2A 4721/4885

“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.