SCHEMBL3602671

SCHEMBL3602671

CCOC(=O)CCc1ccc(OC2CCN(CC(O)(c3cn(Cc4ccc(OC)cc4)c4cc([N+](=O)[O-])ccc34)C(F)(F)F)CC2)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.37
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GAA P10253 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.35
ACHE P22303 1/20 0.35
LMNA P02545 2/20 0.34
LGALS1 P09382 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4D Q08499 1/20 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
SCHEMBL3598302 0.95 BCHE (0.36) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3600053 0.94 ALDH1A1 (0.37) KMT2AMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL13254258 0.94 MAPT (0.35) KMT2AMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL3596978 0.93 BCHE (0.34) KMT2AMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL3589123 0.93 KMT2A (0.37) KMT2AMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL3599950 0.92 POLB (0.38) KMT2AMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL3599149 0.90 BCHE (0.36) KMT2AMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL13254245 0.90 BCHE (0.34) KMT2AMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL13254244 0.89 MEN1 (0.38) KMT2AMAPTALDH1A1SMN1; SMN2GAA
SCHEMBL13254250 0.89 HRH2 (0.35) KMT2AMAPTMEN1ACHEPDE4B

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 KMT2A 4721/4885MAPT 4708/4885ALDH1A1 4118/4885

“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.