SCHEMBL3583209

SCHEMBL3583209

O=C(O)NCCNCC(O)(c1cn(Cc2ccccc2)c2cc([N+](=O)[O-])ccc12)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
MAPT P10636 4/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 2/20 0.38
S1PR3 Q99500 1/20 0.38
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PLA2G2A P14555 1/20 0.37
KAT2B Q92831 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ASAH1 Q13510 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL3599385 0.95 NPC1 (0.38) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL3595097 0.90 KMT2A (0.41) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL13254113 0.89 F2RL3 (0.42) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL13254121 0.89 KMT2A (0.39) ALDH1A1MAPTLMNAMAPK1S1PR3
SCHEMBL3603384 0.89 L3MBTL1 (0.42) ALDH1A1MAPTLMNAHTTS1PR3
SCHEMBL13254123 0.88 POLB (0.40) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL13254112 0.88 PDE4A (0.38) ALDH1A1MAPTLMNAS1PR3PDE4A
Hydrochloric Acid SCHEMBL3597422 0.87 POLB (0.41) ALDH1A1MAPTLMNAHTTMAPK1
SCHEMBL3591505 0.87 ALDH1A1 (0.39) ALDH1A1MAPTLMNAS1PR3PDE4A
SCHEMBL3591306 0.87 PDE4A (0.39) ALDH1A1MAPTLMNAMAPK1S1PR3

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 2 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
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 ALDH1A1 4118/4885MAPT 4708/4885LMNA 4335/4885

“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.