SCHEMBL3591293

SCHEMBL3591293

O=C(O)c1cn2c(n1)CN(CC(O)(c1cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc13)C(F)(F)F)CC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH1A1 P00352 5/20 0.34
KDM4E B2RXH2 3/20 0.34
LMNA P02545 3/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
MAPK1 P28482 2/20 0.34
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
GRM2 Q14416 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
BCHE P06276 1/20 0.33
ALOX5 P09917 1/20 0.33
MAOA P21397 1/20 0.33
ACHE P22303 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 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
SCHEMBL3599157 0.91 KMT2A (0.36) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL3594430 0.85 ALDH1A1 (0.44) POLBALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3596441 0.83 ALDH1A1 (0.43) POLBALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3595274 0.82 HTR7 (0.39) POLBALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3597934 0.82 CACNB4 (0.44) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3602275 0.82 ALDH1A1 (0.41) POLBKMT2AALDH1A1KDM4ELMNA
SCHEMBL3586209 0.82 ALDH1A1 (0.40) POLBMEN1KMT2AALDH1A1LMNA
SCHEMBL3591769 0.81 KAT2B (0.36) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3600000 0.81 POLB (0.46) POLBKMT2AALDH1A1KDM4ELMNA
SCHEMBL3592162 0.81 ALDH1A1 (0.46) MEN1KMT2AALDH1A1KDM4ELMNA

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 4635/4885MEN1 3628/4885KMT2A 4721/4885

“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.