SCHEMBL4844309

SCHEMBL4844309

Cc1cc(C#N)c(Nc2ccc(Cl)cc2[N+](=O)[O-])s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.49
MAPT P10636 5/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNMA1 Q12791 3/20 0.41
MERTK Q12866 1/20 0.39
APP P05067 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
MAP2K1 Q02750 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PKM P14618 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL4842480 0.91 VCAM1 (0.50) VCAM1L3MBTL1MAPTTDP1SMN1; SMN2
SCHEMBL15485425 0.87 KAT2B (0.46) VCAM1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL31690565 0.87 KAT2B (0.46) VCAM1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL725098 0.84 HTT (0.46) L3MBTL1MAPTTDP1ALDH1A1POLB
SCHEMBL29527221 0.84 HTT (0.46) L3MBTL1MAPTTDP1ALDH1A1POLB
SCHEMBL4844235 0.81 HTT (0.40) VCAM1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL4836315 0.81 VCAM1 (0.56) VCAM1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL4836510 0.79 VCAM1 (0.57) VCAM1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL4837038 0.79 ATM (0.39) VCAM1L3MBTL1MAPTTDP1ALDH1A1
SCHEMBL4380157 0.78 MAPT (0.47) L3MBTL1MAPTTDP1ALDH1A1SMN1; SMN2

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 8 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
US-7384934-B2 Piperazine substituted aryl benzodiazepines ELI LILLY AND COMPANY (US) 2008-06-10 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
EP-1546134-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2005-06-29 EP disclosed
WO-2004014895-A1 PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES ELI LILLY AND COMPANY (US) 2004-02-19 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-20060084643-A1 Piperazine substituted aryl benzodiazepines GABBR1, GABBR2, GABRA5 VCAM1 3261/4885L3MBTL1 4655/4885MAPT 1793/4885

“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.