SCHEMBL4842480

SCHEMBL4842480

Cc1cc(C#N)c(Nc2cc(Cl)ccc2[N+](=O)[O-])s1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 1/20 0.50
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
MAPT P10636 5/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 2/20 0.41
MERTK Q12866 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALPG P10696 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 3/20 0.38
MAP2K1 Q02750 2/20 0.36
IDH1 O75874 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
SCHEMBL4844309 0.91 VCAM1 (0.53) VCAM1MAPK1TSHRMAPTPKM
SCHEMBL4837038 0.86 ATM (0.39) VCAM1MAPK1MAPTLMNAMERTK
SCHEMBL29527221 0.84 HTT (0.46) MAPK1MAPTPKMLMNAHTT
SCHEMBL725098 0.84 HTT (0.46) MAPK1MAPTPKMLMNAHTT
SCHEMBL4844235 0.81 HTT (0.40) VCAM1MAPTLMNAMERTKHTT
SCHEMBL31690565 0.80 KAT2B (0.46) VCAM1MAPK1MAPTPKMLMNA
SCHEMBL15485425 0.80 KAT2B (0.46) VCAM1MAPK1MAPTPKMLMNA
SCHEMBL4380157 0.78 MAPT (0.47) MAPK1MAPTPKMLMNAHTT
SCHEMBL31495088 0.76 VCAM1 (0.56) VCAM1MAPK1TSHRMAPTPKM
SCHEMBL23682555 0.74 HTT (0.39) VCAM1TSHRMAPTLMNAHTT

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 3261/4885MAPK1 1631/4885TSHR 62/4885

“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.