SCHEMBL3598752

SCHEMBL3598752

CCOC(=O)CCc1cc(OC)c(OC2CCCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ABCB1 P08183 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 2/20 0.33
FKBP1A P62942 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32
DRD1 P21728 1/20 0.32
TBXA2R P21731 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32

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
SCHEMBL3589591 0.98 MAPK1 (0.35) MAPTABCB1MAPK1POLBKMT2A
SCHEMBL3597700 0.94 MAPK1 (0.34) MAPTABCB1MAPK1POLBKMT2A
SCHEMBL3596978 0.94 BCHE (0.34) MAPTABCB1LMNAMAPK1POLB
SCHEMBL3596567 0.94 MAPK1 (0.35) MAPTABCB1MAPK1KMT2AFKBP1A
SCHEMBL3598302 0.91 BCHE (0.36) MAPTLMNAMAPK1POLBKMT2A
SCHEMBL3587922 0.91 MAPK1 (0.37) ABCB1MAPK1KMT2APGRCHRM2
SCHEMBL3599662 0.90 ACHE (0.36) MAPK1POLBKMT2AFKBP1ABCHE
SCHEMBL13254293 0.90 ACHE (0.38) ABCB1ALDH1A1BCHEACHE
SCHEMBL3594794 0.89 POLB (0.35) MAPTLMNAPOLBKMT2AFKBP1A
SCHEMBL3604779 0.89 POLB (0.36) MAPTLMNAMAPK1POLBKMT2A

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 4 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

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 MAPT 4708/4885ABCB1 2582/4885LMNA 4335/4885

“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.