SCHEMBL4844037

SCHEMBL4844037

CCOC(=O)c1nc(C)sc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 7/20 0.44
MAPK1 P28482 5/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
POLB P06746 2/20 0.44
NPC1 O15118 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 5/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
LMNA P02545 2/20 0.44
GAA P10253 2/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
ILK Q13418 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL4837225 0.87 SLC5A1 (0.43) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL9372261 0.85 KMT2A (0.45) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL9372234 0.85 MAPT (0.44) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL9371773 0.85 MAPT (0.47) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL27257810 0.85 KDM4E (0.52) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL4842389 0.84 CCNA2 (0.45) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL14528079 0.80 ILK (0.43) KMT2AMAPTMEN1RAB9ANPC1
SCHEMBL6990179 0.77 MAPT (0.46) KMT2AMAPTMEN1MAPK1L3MBTL1
SCHEMBL11531670 0.77 MAPT (0.54) KMT2AMAPTMEN1MAPK1TDP1
SCHEMBL2258175 0.74 ALDH1A1 (0.68) KMT2AMAPTMEN1MAPK1L3MBTL1

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 17 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-1492794-B1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS LILLY CO ELI (US) 2007-12-12 EP disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 US disclosed
US-7214673-B2 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY (US) 2007-05-08 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
US-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US disclosed
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
EP-1492794-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2005-01-05 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 WO disclosed
WO-2003082877-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES AND THEIR USE AS DOPAMINE RECEPTOR ANTAGONISTS FOR THE TREATMENT OF PSYCHOTIC DISORDERS ELI LILLY AND COMPANY (US) 2003-10-09 WO disclosed
EP-0354781-B1 Benzodiazepine compounds and their use as pharmaceuticals LILLY INDUSTRIES LTD (GB) 1994-11-02 EP disclosed
US-5051516-A Chemical intermediates for central nervous system active drug s LILLY INDUSTRIES LIMITED (GB) 1991-09-24 US disclosed
US-4977150-A Neuroleptic agents LILLY INDUSTRIES LIMITED (GB) 1990-12-11 US disclosed
EP-0354781-A2 Benzodiazepine compounds and their use as pharmaceuticals LILLY INDUSTRIES LIMITED (GB) 1990-02-14 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 (2 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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 KMT2A 3291/4885MAPT 2103/4885MEN1 4508/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 KMT2A 2211/4885MAPT 1793/4885MEN1 4511/4885

“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.