SCHEMBL3589171

SCHEMBL3589171

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3cccc(C)c3)c3cc(C#N)ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TP53 P04637 1/20 0.35
KDM1A O60341 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
HRH2 P25021 2/20 0.34
GPR6 P46095 4/20 0.34
CYSLTR2 Q9NS75 1/20 0.33
CYSLTR1 Q9Y271 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
SCHEMBL3596047 0.94 SIGMAR1 (0.40) LMNASMN1; SMN2SIGMAR1HRH2GPR6
SCHEMBL3588625 0.94 HRH2 (0.37) SIGMAR1HRH2GPR6
SCHEMBL3585685 0.94 KMT2A (0.41) SIGMAR1HRH2GPR6
SCHEMBL3599682 0.94 CHRM4 (0.36) ALDH1A1SIGMAR1HRH2GPR6CYSLTR2
SCHEMBL3593937 0.94 KDM1A (0.37) KDM1ASIGMAR1HRH2GPR6
SCHEMBL14160068 0.93 ALDH1A1 (0.35) ALDH1A1LMNAMAPTSMN1; SMN2TP53
SCHEMBL3588718 0.93 SIGMAR1 (0.35) ALDH1A1LMNASIGMAR1HRH2GPR6
SCHEMBL3593372 0.91 MEN1 (0.40) SIGMAR1HRH2
SCHEMBL3586599 0.91 PRKAA2 (0.38) SIGMAR1HRH2GPR6
SCHEMBL3587512 0.91 GPR6 (0.36) KDM1ASIGMAR1HRH2GPR6

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 2 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
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 4118/4885LMNA 4335/4885MAPT 4708/4885

“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.