SCHEMBL3594905

SCHEMBL3594905

COc1ccccc1N1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HTR1A P08908 4/20 0.45
POLB P06746 1/20 0.43
DRD2 P14416 4/20 0.43
DRD3 P35462 2/20 0.43
DRD4 P21917 1/20 0.43
HTR2A P28223 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL3593605 0.90 KCNJ1 (0.44) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL3600571 0.88 MAPT (0.44) LMNAALDH1A1MAPK1MAPT
SCHEMBL3600657 0.87 ALDH1A1 (0.50) LMNAALDH1A1MAPTSMN1; SMN2POLB
SCHEMBL3586209 0.87 ALDH1A1 (0.40) LMNAALDH1A1MAPTSMN1; SMN2HTR1A
SCHEMBL3595908 0.87 ALDH1A1 (0.46) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL3594430 0.87 ALDH1A1 (0.44) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL3587915 0.87 MAPK1 (0.41) ALDH1A1MAPK1MAPTHTR1ADRD3
SCHEMBL3595274 0.86 HTR7 (0.39) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL3600552 0.86 POLB (0.41) LMNAALDH1A1MAPK1MAPTSMN1; SMN2
SCHEMBL3597934 0.85 CACNB4 (0.44) LMNAALDH1A1MAPTSMN1; SMN2TDP1

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 4335/4885ALDH1A1 4118/4885MAPK1 703/4885

“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.