SCHEMBL3593530

SCHEMBL3593530

COc1cc2c(c(OC)c1/C=C/C(=O)O)CCN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)C2

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 1/20 0.33
ABCB1 P08183 4/20 0.33
ALDH1A1 P00352 2/20 0.33
ABCG2 Q9UNQ0 2/20 0.33
KCNJ1 P48048 1/20 0.33
LMNA P02545 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PTGER3 P43115 1/20 0.32
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32
CA9 Q16790 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
SCHEMBL3593533 1.00 SIGMAR1 (0.33) SIGMAR1DRD2DRD4DRD3ABCB1
SCHEMBL3600917 1.00 SIGMAR1 (0.33) SIGMAR1DRD2DRD4DRD3ABCB1
SCHEMBL13254291 0.94 ALDH1A1 (0.32) SIGMAR1DRD2DRD4DRD3ABCB1
SCHEMBL3588818 0.87 ABCG2 (0.34) SIGMAR1DRD2DRD4DRD3ABCB1
SCHEMBL3589090 0.86 POLB (0.35) SIGMAR1ABCB1ALDH1A1ABCG2LMNA
SCHEMBL3604171 0.85 ABCB1 (0.43) ABCB1ALDH1A1ABCG2LMNA
SCHEMBL3590604 0.81 ACHE (0.41) CA2CA5ACA9
SCHEMBL3590611 0.81 ACHE (0.41) CA2CA5ACA9
SCHEMBL3593608 0.81 ACHE (0.44) CA2CA5ACA9
SCHEMBL3593618 0.81 ACHE (0.44) CA2CA5ACA9

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 SIGMAR1 588/4885DRD2 3426/4885DRD4 1983/4885

“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.