SCHEMBL3589090

SCHEMBL3589090

CCOC(=O)CCc1c(OC)cc2c(c1OC)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
KMT2A Q03164 2/20 0.34
ABCG2 Q9UNQ0 4/20 0.33
ABCB1 P08183 3/20 0.33
MET P08581 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
P2RX7 Q99572 1/20 0.31
MAPK1 P28482 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PLA2G2A P14555 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL3588818 0.93 ABCG2 (0.34) ABCG2ABCB1SIGMAR1ALDH1A1LMNA
SCHEMBL13254291 0.88 ALDH1A1 (0.32) ABCG2ABCB1SIGMAR1ALDH1A1LMNA
SCHEMBL3593530 0.86 SIGMAR1 (0.33) ABCG2ABCB1SIGMAR1ALDH1A1LMNA
SCHEMBL3593533 0.86 SIGMAR1 (0.33) ABCG2ABCB1SIGMAR1ALDH1A1LMNA
SCHEMBL3600917 0.86 SIGMAR1 (0.33) ABCG2ABCB1SIGMAR1ALDH1A1LMNA
SCHEMBL3602945 0.85 ALDH1A1 (0.34) KMT2AABCG2ABCB1METSIGMAR1
SCHEMBL3604171 0.83 ABCB1 (0.43) ABCG2ABCB1ALDH1A1LMNAMAPK1
SCHEMBL3595511 0.83 BCHE (0.36) POLBKMT2ALMNAMAPK1
SCHEMBL3589591 0.81 MAPK1 (0.35) POLBKMT2AABCB1ALDH1A1MAPK1
SCHEMBL3589259 0.81 ALDH1A1 (0.35) KMT2AMETSIGMAR1ALDH1A1MAPK1

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 POLB 4635/4885KMT2A 4721/4885ABCG2 1850/4885

“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.