SCHEMBL4846304

SCHEMBL4846304

N#Cc1cc(C(F)(F)F)ccc1Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPAS1 Q99814 1/20 0.55
VCAM1 P19320 1/20 0.53
MAPK1 P28482 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 8/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
LMNA P02545 4/20 0.46
HTT P42858 3/20 0.46
GAA P10253 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
AKR1B1 P15121 2/20 0.45
AKR1C4 P17516 2/20 0.45
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
AKR1C1 Q04828 2/20 0.45
ALOX12 P18054 1/20 0.44
FLT1 P17948 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42

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
SCHEMBL4842658 0.87 EPAS1 (0.53) EPAS1MAPK1L3MBTL1MAPTMEN1
SCHEMBL4843827 0.85 AKR1C3 (0.54) EPAS1MAPK1L3MBTL1MAPTMEN1
SCHEMBL4840809 0.84 MAPK1 (0.48) EPAS1MAPK1MAPTMEN1KMT2A
SCHEMBL4836510 0.81 VCAM1 (0.57) VCAM1MAPK1L3MBTL1MAPTLMNA
SCHEMBL5556900 0.81 L3MBTL1 (0.62) EPAS1VCAM1L3MBTL1MAPTLMNA
SCHEMBL4845404 0.81 AKR1B1 (0.49) EPAS1MAPK1L3MBTL1MAPTMEN1
SCHEMBL11199548 0.79 EPAS1 (0.61) EPAS1MAPK1L3MBTL1MAPTMEN1
SCHEMBL4840395 0.79 VCAM1 (0.53) EPAS1VCAM1MAPK1L3MBTL1MAPT
SCHEMBL11382431 0.77 MAPK1 (0.76) EPAS1MAPK1L3MBTL1MAPTMEN1
SCHEMBL11533717 0.77 VCAM1 (0.57) VCAM1MAPK1L3MBTL1MAPTMEN1

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-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 US disclosed
EP-1546134-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES LILLY CO ELI (US) 2007-05-02 EP disclosed
US-20060084643-A1 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY 2006-04-20 US 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 EPAS1 2227/4885VCAM1 3261/4885MAPK1 1631/4885

“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.