SCHEMBL5564039

SCHEMBL5564039

N#Cc1ccccc1Nc1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.57
ALDH1A1 P00352 3/20 0.57
TDP1 Q9NUW8 2/20 0.57
CASP7 P55210 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTT P42858 1/20 0.52
MAPT P10636 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
GAA P10253 1/20 0.51
PKM P14618 1/20 0.51
LMNA P02545 2/20 0.49
F2 P00734 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPAS1 Q99814 1/20 0.44
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
HPGD P15428 1/20 0.44
BCHE P06276 1/20 0.43

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
SCHEMBL27864501 0.85 MAPT (0.64) MAPK1ALDH1A1TDP1L3MBTL1HTT
SCHEMBL5556900 0.84 L3MBTL1 (0.62) ALDH1A1TDP1L3MBTL1HTTMAPT
SCHEMBL4844596 0.84 HTT (0.51) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL31495088 0.84 VCAM1 (0.56) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL4836735 0.84 HTT (0.51) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL397773 0.84 MAPK1 (0.77) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL14528128 0.81 LMNA (0.51) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL4843827 0.81 AKR1C3 (0.54) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL4837210 0.81 HTT (0.48) MAPK1ALDH1A1TDP1CASP7L3MBTL1
SCHEMBL11152931 0.80 LMNA (0.51) MAPK1ALDH1A1TDP1HTTMAPT

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 6 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
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 MAPK1 2488/4885ALDH1A1 2465/4885TDP1 4014/4885

“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.