SCHEMBL3583319

SCHEMBL3583319

CC(C)(C)OC(=O)N1CCC(C(=O)N2CCN(CC(O)(c3cn(Cc4ccccc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 3/20 0.43
MET P08581 1/20 0.38
STS P08842 1/20 0.37
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 3/20 0.36
THRB P10828 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL16326419 0.94 ALDH1A1 (0.42) METALDH1A1LMNAMAPTTDP1
SCHEMBL3605470 0.91 CA12 (0.39) ALDH1A1LMNAMAPTTSHRTDP1
SCHEMBL3596012 0.91 SLC2A1 (0.41) ALDH1A1LMNAMAPTTSHRTDP1
SCHEMBL3607171 0.89 SLC2A1 (0.42) ALDH1A1LMNAMAPTTSHRTDP1
SCHEMBL13254203 0.88 ALDH1A1 (0.40) SFRP1ALDH1A1LMNAMAPTTSHR
Hydrochloric Acid SCHEMBL3592308 0.87 ALDH1A1 (0.39) SFRP1ALDH1A1LMNAMAPTTSHR
SCHEMBL3597319 0.86 KCNJ1 (0.40) ALDH1A1TSHRTDP1KMT2A
SCHEMBL13254199 0.85 LMNA (0.38) SFRP1METSTSALDH1A1LMNA
SCHEMBL3602275 0.84 ALDH1A1 (0.41) ALDH1A1LMNAMAPTTDP1KMT2A
SCHEMBL3590840 0.84 ACHE (0.40) MAPTTDP1

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 SFRP1 1252/4885MET 1869/4885STS 3512/4885

“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.