SCHEMBL3597869

SCHEMBL3597869

CCOC(=O)CCc1ccc(S(=O)(=O)C2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
AGTR1 P30556 1/20 0.35
HTT P42858 1/20 0.35
MAPK1 P28482 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 2/20 0.35
LMNA P02545 2/20 0.34
CCR5 P51681 1/20 0.34
HTR2C P28335 1/20 0.34
KCNH2 Q12809 1/20 0.34
FKBP1A P62942 1/20 0.34
MAPT P10636 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
BCHE P06276 1/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33

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 0.92 BCHE (0.35) ALDH1A1KMT2AMEN1MAPK1TDP1
SCHEMBL3589454 0.91 HTR2A (0.38) HTR2AHTR2CKCNH2SIGMAR1BCHE
SCHEMBL3600567 0.90 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL3595332 0.90 LGALS1 (0.35) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL3592165 0.90 HTR2A (0.45) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL13254207 0.89 ACHE (0.40) ALDH1A1KMT2AMEN1MAPK1HTR2A
SCHEMBL13282453 0.89 ACHE (0.40) ALDH1A1KMT2AMEN1MAPK1HTR2A
SCHEMBL3595997 0.88 HTR2A (0.45) MAPK1HTR2AHTR2CKCNH2MAPT
SCHEMBL3596201 0.88 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1HTTHTR2A
SCHEMBL3596799 0.87 BLM (0.40) ALDH1A1KMT2AMEN1AGTR1HTT

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 ALDH1A1 4118/4885KMT2A 4721/4885MEN1 3628/4885

“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.