SCHEMBL4839416

SCHEMBL4839416

N#Cc1ccsc1Nc1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
VCAM1 P19320 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
LMNA P02545 1/20 0.36
RAB9A P51151 2/20 0.36
MERTK Q12866 1/20 0.36
POLB P06746 2/20 0.35
BLM P54132 1/20 0.35
CASP6 P55212 1/20 0.35
MCL1 Q07820 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
SCHEMBL4839339 0.86 MAPT (0.48) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL23682558 0.82 ALDH1A1 (0.49) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4837038 0.81 ATM (0.39) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4845698 0.80 HTR6 (0.42) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4835505 0.78 LMNA (0.40) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4836315 0.78 VCAM1 (0.56) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4845706 0.77 TDP1 (0.38) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL14528081 0.77 RAB9A (0.37) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL7000491 0.75 ATM (0.38) MAPTMEN1KMT2AHTTALDH1A1
SCHEMBL4845404 0.73 AKR1B1 (0.49) MAPTMEN1KMT2AHTTALDH1A1

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 MAPT 1793/4885MEN1 4511/4885KMT2A 2211/4885

“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.