SCHEMBL3589259

SCHEMBL3589259

CCOC(=O)CCCOc1cccc2c1CN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)CC2

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR5 Q9H228 5/20 0.35
PLA2G2A P14555 3/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
MET P08581 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GNRHR P30968 1/20 0.33
HRH3 Q9Y5N1 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
SCHEMBL14160032 0.93 ALDH1A1 (0.35) ALDH1A1MAPK1KMT2ATDP1S1PR5
SCHEMBL3595537 0.93 S1PR5 (0.42) S1PR5PLA2G2APTGDR2GNRHR
SCHEMBL3602945 0.84 ALDH1A1 (0.34) ALDH1A1MAPK1KMT2ATDP1MET
SCHEMBL13254290 0.83 MOGAT2 (0.38) HRH3
SCHEMBL3593083 0.82 PLA2G2A (0.40) ALDH1A1MAPK1KMT2APLA2G2AHRH3
SCHEMBL3589090 0.81 POLB (0.35) ALDH1A1MAPK1KMT2ATDP1PLA2G2A
SCHEMBL13254268 0.80 MET (0.38) ALDH1A1KMT2AMET
SCHEMBL3604171 0.80 ABCB1 (0.43) ALDH1A1MAPK1TMEM97
SCHEMBL13254288 0.79 FAAH (0.38) ALDH1A1
SCHEMBL3597146 0.79 MET (0.40) ALDH1A1MAPK1KMT2ATDP1MET

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 ALDH1A1 4118/4885MAPK1 703/4885KMT2A 4721/4885

“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.