SCHEMBL4836271

SCHEMBL4836271

CC(C)c1ccc(Nc2cc(F)ccc2[N+](=O)[O-])c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
EPAS1 Q99814 1/20 0.39
LMNA P02545 1/20 0.39
ATM Q13315 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH3A1 P30838 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
BCL6 P41182 1/20 0.35
BCOR Q6W2J9 1/20 0.35
VCAM1 P19320 1/20 0.35
NTRK1 P04629 1/20 0.34
MERTK Q12866 1/20 0.34
RECQL P46063 1/20 0.34

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
SCHEMBL4841093 0.92 MEN1 (0.45) HTTMEN1KMT2AEPAS1LMNA
SCHEMBL4837210 0.84 HTT (0.48) HTTMEN1KMT2AEPAS1LMNA
SCHEMBL4840395 0.80 VCAM1 (0.53) HTTMEN1KMT2AEPAS1LMNA
SCHEMBL4845404 0.80 AKR1B1 (0.49) HTTMEN1KMT2AEPAS1LMNA
SCHEMBL4844419 0.78 MEN1 (0.39) HTTMEN1KMT2ALMNAATM
SCHEMBL4841127 0.76 MAPK1 (0.44) HTTMEN1KMT2ALMNATDP1
SCHEMBL4837038 0.73 ATM (0.39) HTTMEN1KMT2AEPAS1LMNA
SCHEMBL1456042 0.72 VCAM1 (0.58) HTTMEN1KMT2ATDP1MAPT
SCHEMBL4839416 0.72 MAPT (0.47) HTTMEN1KMT2AEPAS1LMNA
SCHEMBL9536353 0.72 TDP1 (0.50) HTTMEN1KMT2ALMNAATM

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
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
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 HTT 2206/4885MEN1 4511/4885KMT2A 2211/4885

“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.