SCHEMBL4845698

SCHEMBL4845698

N#Cc1ccsc1CNc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
MAPT P10636 6/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 3/20 0.38
ATM Q13315 1/20 0.38
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
POLB P06746 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 1/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 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
SCHEMBL4839416 0.80 MAPT (0.47) MAPTALDH1A1TDP1ATMKMT2A
SCHEMBL3513090 0.71 HTR6 (0.66) HTR6MAPTALDH1A1MAPK1TDP1
SCHEMBL589140 0.70 TDP1 (0.58) MAPTALDH1A1TDP1ATMKMT2A
SCHEMBL3512219 0.70 MAPT (0.57) HTR6MAPTALDH1A1MAPK1TDP1
SCHEMBL31481963 0.70 MAPT (0.57) HTR6MAPTALDH1A1MAPK1TDP1
SCHEMBL31395716 0.69 HTR6 (0.53) HTR6MAPTALDH1A1MAPK1TDP1
SCHEMBL5021178 0.69 MAPT (0.51) HTR6MAPTALDH1A1MAPK1TDP1
SCHEMBL13331973 0.69 HTR6 (0.56) HTR6MAPTALDH1A1MAPK1TDP1
SCHEMBL17845498 0.69 ATM (0.51) HTR6MAPTALDH1A1MAPK1TDP1
SCHEMBL15322458 0.69 TDP1 (0.51) HTR6MAPTALDH1A1MAPK1TDP1

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-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
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO 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 HTR6 260/4885MAPT 1793/4885ALDH1A1 215/4885

“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.