SCHEMBL3591769

SCHEMBL3591769

O=C1CN(CC(O)(c2cn(Cc3ccccc3)c3cc([N+](=O)[O-])ccc23)C(F)(F)F)CCN1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 1/20 0.36
ACHE P22303 5/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 3/20 0.35
BCHE P06276 1/20 0.35
ALOX5 P09917 1/20 0.35
MAOA P21397 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 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
SCHEMBL13254029 0.92 ALDH1A1 (0.37) KAT2BALDH1A1KDM4ELMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3593801 0.91 ALDH1A1 (0.37) KAT2BALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3594430 0.87 ALDH1A1 (0.44) ALDH1A1KDM4ELMNASMN1; SMN2MAPT
SCHEMBL3598200 0.86 KAT2B (0.38) KAT2BACHEALDH1A1KDM4ELMNA
SCHEMBL3597934 0.86 CACNB4 (0.44) KAT2BALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3596250 0.85 KAT2B (0.36) KAT2BACHEALDH1A1LMNABCHE
SCHEMBL3600408 0.85 KCNJ1 (0.47) ALDH1A1KDM4ELMNASMN1; SMN2KMT2A
SCHEMBL3595274 0.85 HTR7 (0.39) ACHEALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL3586209 0.84 ALDH1A1 (0.40) ALDH1A1LMNASMN1; SMN2KMT2AMEN1
SCHEMBL3596441 0.84 ALDH1A1 (0.43) ALDH1A1KDM4ELMNASMN1; SMN2SIGMAR1

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 KAT2B 3394/4885ACHE 3194/4885ALDH1A1 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.