SCHEMBL3604639

SCHEMBL3604639

COc1cc(CC(=O)O)ccc1OC1CCN(CC(O)(c2cn(Cc3ccccc3C)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 4/20 0.36
MAPT P10636 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CCR5 P51681 1/20 0.35
HTT P42858 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
MAPK1 P28482 1/20 0.34
KCNJ1 P48048 1/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SERPINE1 P05121 2/20 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
SCHEMBL3592303 1.00 SLC22A12 (0.36) SLC22A12MAPTNPSR1ALDH1A1CCR5
SCHEMBL3598166 0.94 CCR5 (0.35) SLC22A12MAPTNPSR1ALDH1A1CCR5
SCHEMBL3598163 0.94 CCR5 (0.35) SLC22A12MAPTNPSR1ALDH1A1CCR5
SCHEMBL13254247 0.93 ALDH1A1 (0.36) MAPTNPSR1ALDH1A1CCR5HTT
SCHEMBL3600455 0.93 SLC22A12 (0.42) SLC22A12ALDH1A1CCR5HTTPTGDR2
SCHEMBL3600449 0.93 SLC22A12 (0.42) SLC22A12ALDH1A1CCR5HTTPTGDR2
SCHEMBL3596388 0.93 SIGMAR1 (0.39) MAPTNPSR1ALDH1A1CCR5HTT
SCHEMBL3589013 0.91 ALDH1A1 (0.37) MAPTALDH1A1CCR5HTTSIGMAR1
SCHEMBL3589007 0.91 ALDH1A1 (0.37) MAPTALDH1A1CCR5HTTSIGMAR1
SCHEMBL3592620 0.90 MAPK1 (0.37) MAPTNPSR1ALDH1A1CCR5SIGMAR1

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 SLC22A12 3061/4885MAPT 4708/4885NPSR1 535/4885

“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.