SCHEMBL4844402

SCHEMBL4844402

CC(C)c1nc(C(N)=O)c(Nc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
PLK1 P53350 1/20 0.43
CCNA1 P78396 1/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPK1 P28482 5/20 0.41
TDP1 Q9NUW8 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CASP7 P55210 1/20 0.41
MAPT P10636 7/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 2/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ASPH Q12797 1/20 0.41
KDM8 Q8N371 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL5907093 0.90 KDM4E (0.49) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL4842389 0.85 CCNA2 (0.45) CCNA2CDK2PLK1CCNA1ALDH1A1
SCHEMBL4837225 0.84 SLC5A1 (0.43) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL4876071 0.78 MAPK1 (0.42) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL27257810 0.74 KDM4E (0.52) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL4844037 0.70 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL5562204 0.69 NPC1 (0.44) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL11787404 0.68 MEN1 (0.57) ALDH1A1MAPK1TDP1L3MBTL1CASP7
SCHEMBL2421019 0.66 MAPK1 (0.57) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1
SCHEMBL397773 0.66 MAPK1 (0.77) ALDH1A1SMN1; SMN2MAPK1TDP1L3MBTL1

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 15 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
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
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

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 CCNA2 2718/4885CDK2 2475/4885PLK1 3652/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 CCNA2 2459/4885CDK2 836/4885PLK1 2171/4885

“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.