SCHEMBL4836607

SCHEMBL4836607

Cc1nc(C#N)c(Nc2ccccc2[N+](=O)[O-])s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.44
ALDH1A1 P00352 5/20 0.44
MAPK1 P28482 4/20 0.44
TDP1 Q9NUW8 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CASP7 P55210 1/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.39
NPC1 O15118 1/20 0.39
EGFR P00533 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
CUL4A Q13619 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL4876071 0.84 MAPK1 (0.42) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL27257810 0.78 KDM4E (0.52) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL14528223 0.77 ALOX15 (0.34) MAPTALDH1A1MAPK1L3MBTL1MEN1
SCHEMBL4842389 0.77 CCNA2 (0.45) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL29527221 0.76 HTT (0.46) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL725098 0.76 HTT (0.46) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL23682534 0.73 ALDH1A1 (0.46) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL4844037 0.73 KMT2A (0.44) MAPTALDH1A1MAPK1TDP1L3MBTL1
SCHEMBL5731560 0.72 HPGD (0.43) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL5732200 0.72 ALDH1A1 (0.40) MAPTALDH1A1TDP1MEN1KMT2A

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 10 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-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
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 MAPT 2103/4885ALDH1A1 2465/4885MAPK1 2488/4885
US-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 MAPT 1793/4885ALDH1A1 215/4885MAPK1 1631/4885

“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.