SCHEMBL4845706

SCHEMBL4845706

Cc1csc(Nc2cc(F)ccc2[N+](=O)[O-])c1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 7/20 0.37
ALDH1A1 P00352 5/20 0.37
MAPK1 P28482 2/20 0.37
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
POLB P06746 2/20 0.35
RAB9A P51151 2/20 0.35
HTT P42858 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MERTK Q12866 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
DHODH Q02127 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH3A1 P30838 1/20 0.33

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
SCHEMBL23682534 0.83 ALDH1A1 (0.46) TDP1MAPTALDH1A1MAPK1LMNA
SCHEMBL4837038 0.78 ATM (0.39) TDP1ATMMAPTALDH1A1MAPK1
SCHEMBL4839416 0.77 MAPT (0.47) TDP1ATMMAPTALDH1A1LMNA
SCHEMBL7000491 0.77 ATM (0.38) TDP1ATMMAPTALDH1A1MAPK1
SCHEMBL4840460 0.75 TDP1 (0.37) TDP1ATMMAPTALDH1A1MAPK1
SCHEMBL6995064 0.75 KAT2B (0.36) TDP1ATMMAPTALDH1A1MAPK1
SCHEMBL4835505 0.73 LMNA (0.40) TDP1ATMMAPTALDH1A1MAPK1
SCHEMBL6994349 0.73 AKR1C3 (0.40) TDP1MAPTALDH1A1MAPK1LMNA
SCHEMBL11529600 0.70 ALDH3A1 (0.38) TDP1ATMMAPTALDH1A1MAPK1
SCHEMBL9536353 0.69 TDP1 (0.50) TDP1ATMMAPTALDH1A1MAPK1

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 TDP1 2890/4885ATM 4425/4885MAPT 1793/4885

“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.