SCHEMBL3593644

SCHEMBL3593644

COc1cc(CCC(=O)O)cc(F)c1OC1CCN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
CCR5 P51681 1/20 0.34
KCNJ1 P48048 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
ABCB1 P08183 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
ADRA1A P35348 1/20 0.32
OPRM1 P35372 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
SCHEMBL3587922 0.96 MAPK1 (0.37) MAPK1KMT2ABCHEACHECCR5
SCHEMBL3596567 0.94 MAPK1 (0.35) MAPK1KMT2ABCHEACHECCR5
SCHEMBL3597700 0.94 MAPK1 (0.34) MAPK1KMT2ABCHEACHECCR5
SCHEMBL13254362 0.93 MAPK1 (0.36) MAPK1KMT2ABCHEACHECCR5
SCHEMBL3586655 0.91 BCHE (0.38) MAPK1KMT2ABCHEACHECCR5
SCHEMBL3591626 0.91 ACHE (0.38) MAPK1KMT2ABCHEACHE
SCHEMBL14160034 0.90 MAPK1 (0.34) MAPK1BCHEACHECCR5
SCHEMBL13254387 0.90 SIGMAR1 (0.38) MAPK1KMT2ACCR5SIGMAR1PGR
SCHEMBL3592815 0.90 KMT2A (0.36) MAPK1KMT2ABCHEACHECCR5
SCHEMBL3589591 0.90 MAPK1 (0.35) MAPK1KMT2ABCHEACHECCR5

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 MAPK1 703/4885KMT2A 4721/4885BCHE 3002/4885

“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.