SCHEMBL3590034

SCHEMBL3590034

CN1CCN(C(=O)c2ccc(OC3CCN(CC(O)(c4cn(Cc5ccccc5)c5cc([N+](=O)[O-])ccc45)C(F)(F)F)CC3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ADRB2 P07550 5/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
KIT P10721 1/20 0.38
FLT3 P36888 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PLA2G1B P04054 1/20 0.37
POLB P06746 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37

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
SCHEMBL3584336 0.97 ADRB2 (0.42) LMNAADRB2KMT2AMEN1ALDH1A1
SCHEMBL3598299 0.91 HRH1 (0.39) ADRB2
SCHEMBL16327044 0.90 ADRB2 (0.42) LMNAADRB2KMT2AMEN1HTT
SCHEMBL3582964 0.89 CNR2 (0.41) LMNAALDH1A1
SCHEMBL3598580 0.89 MAPT (0.39)
SCHEMBL3589423 0.88 MAOA (0.39)
SCHEMBL3592076 0.88 SIGMAR1 (0.41) ADRB2
SCHEMBL3592557 0.87 SIGMAR1 (0.40) ALDH1A1
SCHEMBL3600499 0.87 HRH1 (0.37) ADRB2
SCHEMBL13282376 0.86 SIGMAR1 (0.39) LMNAALDH1A1

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 LMNA 4335/4885ADRB2 343/4885KMT2A 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.