SCHEMBL3604941

SCHEMBL3604941

O=[N+]([O-])c1ccc2c(C(O)(CNCC3OCCO3)C(F)(F)F)cn(Cc3ccccc3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ALOX5 P09917 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
S1PR3 Q99500 1/20 0.35
SLC2A1 P11166 1/20 0.34
KAT2B Q92831 1/20 0.34
PLA2G2A P14555 1/20 0.34
ASAH1 Q13510 1/20 0.34
IDO1 P14902 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34

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
SCHEMBL3590592 0.90 HSP90AA1 (0.42) ALDH1A1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL3603384 0.87 L3MBTL1 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3595097 0.86 KMT2A (0.41) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13254113 0.85 F2RL3 (0.42) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13254121 0.85 KMT2A (0.39) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3600448 0.84 FHIT (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13254123 0.84 POLB (0.40) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3583209 0.84 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL13254112 0.84 PDE4A (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA
SCHEMBL3603757 0.83 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2MEN1LMNA

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 6 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
CN-101321726-A Novel fused pyrrole derivative DAINIPPON SUMITOMO PHARMA CO (JP) 2008-12-10 CN 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 BCHE 3002/4885ALOX5 1022/4885MAOA 3671/4885

“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.