SCHEMBL3596567

SCHEMBL3596567

COc1cc(CCC(=O)O)cc(OC)c1OC1CCCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
KMT2A Q03164 4/20 0.35
ABCB1 P08183 1/20 0.34
MEN1 O00255 3/20 0.34
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CCR5 P51681 1/20 0.34
FKBP1A P62942 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KCNJ1 P48048 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CRHBP P24387 1/20 0.33
HTT P42858 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL3587922 0.97 MAPK1 (0.37) MAPK1KMT2AABCB1BCHEACHE
SCHEMBL3593644 0.94 MAPK1 (0.35) MAPK1KMT2AABCB1BCHEACHE
SCHEMBL13254362 0.94 MAPK1 (0.36) MAPK1KMT2AABCB1BCHEACHE
SCHEMBL3598752 0.94 MAPT (0.34) MAPK1KMT2AABCB1BCHEACHE
SCHEMBL3603337 0.93 BCHE (0.36) MAPK1KMT2AMEN1BCHEACHE
SCHEMBL13254387 0.91 SIGMAR1 (0.38) MAPK1KMT2AABCB1MEN1CCR5
SCHEMBL3592815 0.91 KMT2A (0.36) MAPK1KMT2AABCB1MEN1BCHE
SCHEMBL3589591 0.91 MAPK1 (0.35) MAPK1KMT2AABCB1BCHEACHE
SCHEMBL3586655 0.91 BCHE (0.38) MAPK1KMT2AMEN1BCHEACHE
SCHEMBL14160162 0.90 MAPK1 (0.37) MAPK1KMT2AABCB1BCHEACHE

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 MAPK1 703/4885KMT2A 4721/4885ABCB1 2582/4885

“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.