SCHEMBL3600567

SCHEMBL3600567

CCOC(=O)CCc1ccc(S(=O)(=O)C2CCN(CC(O)(c3cn(-c4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
AGTR1 P30556 1/20 0.34
HTT P42858 1/20 0.34
MAPK1 P28482 2/20 0.34
FKBP1A P62942 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ELANE P08246 1/20 0.33
MET P08581 1/20 0.33
NAMPT P43490 2/20 0.33
MAPT P10636 2/20 0.33
LGALS1 P09382 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
KCNH2 Q12809 2/20 0.33
KCNJ1 P48048 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.32

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
SCHEMBL3599602 0.91 PLA2G4A (0.37) NAMPTKCNH2HTR2AHTR2C
SCHEMBL3597869 0.90 ALDH1A1 (0.35) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL3604779 0.85 POLB (0.36) ALDH1A1KMT2AMEN1MAPK1FKBP1A
SCHEMBL3603278 0.82 BCHE (0.35) ALDH1A1KMT2AMEN1MAPK1TDP1
SCHEMBL3589454 0.81 HTR2A (0.38) KCNH2HTR2AHTR2C
SCHEMBL13254401 0.80 CCR5 (0.34) ALDH1A1KMT2AMEN1MAPK1ELANE
SCHEMBL3595332 0.80 LGALS1 (0.35) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL3592165 0.80 HTR2A (0.45) ALDH1A1KMT2AMEN1AGTR1HTT
SCHEMBL3596201 0.80 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1HTTMET
SCHEMBL3596823 0.79 KMT2A (0.37) ALDH1A1KMT2AMEN1FKBP1AMET

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.