SCHEMBL5562227

SCHEMBL5562227

CC(C)n1nc(C#N)c(Nc2ccccc2[N+](=O)[O-])n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.43
MAPK1 P28482 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
ALDH1A1 P00352 3/20 0.43
CASP7 P55210 1/20 0.43
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
MAPT P10636 9/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.38
EGFR P00533 1/20 0.38
EPAS1 Q99814 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HTT P42858 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL11000243 0.84 MAPK1 (0.46) ABCG2MAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL7272269 0.74 MAPK1 (0.46) ABCG2MAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL10996716 0.71 ALDH3A1 (0.40) MAPK1L3MBTL1TDP1ALDH1A1MAPT
SCHEMBL4876071 0.71 MAPK1 (0.42) ABCG2MAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL10998423 0.70 MAPT (0.38) MAPK1L3MBTL1TDP1ALDH1A1KMT2A
SCHEMBL4836607 0.68 MAPT (0.44) ABCG2MAPK1L3MBTL1TDP1ALDH1A1
SCHEMBL11002053 0.68 L3MBTL1 (0.45) MAPK1L3MBTL1TDP1ALDH1A1MEN1
SCHEMBL11004224 0.68 MAPK1 (0.52) MAPK1ALDH1A1MEN1KMT2AMAPT
SCHEMBL11003682 0.68 KDM4E (0.41) MAPK1MAPTRAB9ASMN1; SMN2GAA
SCHEMBL11001899 0.68 L3MBTL1 (0.48) MAPK1L3MBTL1TDP1ALDH1A1MEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20050203296-A1 For therapy of psychosis and bipolar disorder ELI LILLY AND COMPANY 2005-09-15 US 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-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 (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-20050203296-A1 For therapy of psychosis and bipolar disorder DRD4, AFF4, DRD2 ABCG2 1069/4885MAPK1 2488/4885L3MBTL1 3095/4885

“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.