SCHEMBL3589007

SCHEMBL3589007

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccc(C)cc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
HRH2 P25021 3/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CCR5 P51681 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KCNJ1 P48048 1/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL3589013 1.00 ALDH1A1 (0.37) ALDH1A1KDM4ETDP1HRH2LMNA
SCHEMBL3596388 0.95 SIGMAR1 (0.39) ALDH1A1KDM4ELMNAMAPTHTT
SCHEMBL3591379 0.95 HRH2 (0.38) ALDH1A1KDM4EHRH2HTTSMN1; SMN2
SCHEMBL3601167 0.95 ACHE (0.37) ALDH1A1KDM4EHRH2MAPTHTT
SCHEMBL3592156 0.95 MEN1 (0.40) ALDH1A1KDM4EHRH2LMNAMAPT
SCHEMBL3592151 0.95 MEN1 (0.40) ALDH1A1KDM4EHRH2LMNAMAPT
SCHEMBL3591374 0.95 HRH2 (0.38) ALDH1A1KDM4EHRH2HTTSMN1; SMN2
SCHEMBL3602943 0.95 ACHE (0.37) ALDH1A1KDM4EHRH2MAPTHTT
SCHEMBL3592620 0.94 MAPK1 (0.37) ALDH1A1HRH2LMNAMAPTSMN1; SMN2
SCHEMBL3590665 0.94 MAPK1 (0.37) ALDH1A1HRH2LMNAMAPTSMN1; SMN2

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 ALDH1A1 4118/4885KDM4E 1967/4885TDP1 4244/4885

“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.