SCHEMBL5478575

SCHEMBL5478575

CC(C)(C)C(=O)OC1CCC(=NO)c2ccc(Cl)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
HTR2B P41595 3/20 0.34
PTGDR2 Q9Y5Y4 3/20 0.33
SHMT1 P34896 3/20 0.33
SHMT2 P34897 2/20 0.33
PTGDR Q13258 2/20 0.33
SLC6A3 Q01959 1/20 0.32
ELANE P08246 1/20 0.32
POLB P06746 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HTR7 P34969 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31

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
SCHEMBL5478573 1.00 HTT (0.42) HTTMEN1PKMKMT2AHTR2B
SCHEMBL5480911 0.86 MAP3K14 (0.33) MEN1KMT2APTGDR2TUBB4ATUBB
SCHEMBL5480913 0.86 MAP3K14 (0.33) MEN1KMT2APTGDR2TUBB4ATUBB
SCHEMBL5477645 0.85 MAPT (0.40) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5477650 0.85 MAPT (0.40) MEN1KMT2ATUBB4ATUBBTUBA3C
SCHEMBL5485146 0.84 MEN1 (0.37) MEN1PKMKMT2AHTR2BPTGDR2
SCHEMBL12822679 0.73 HTR2B (0.33) MEN1PKMKMT2AHTR2BSHMT1
SCHEMBL12822680 0.73 HTR2B (0.33) MEN1PKMKMT2AHTR2BSHMT1
SCHEMBL12822682 0.73 HTR2B (0.33) MEN1PKMKMT2AHTR2BSHMT1
SCHEMBL15698064 0.73 HTR2B (0.33) MEN1PKMKMT2AHTR2BSHMT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185323-A1 Method of preparing benzazepines and derivatives thereof ECOLE POLYTECHNIQUE (FR) 2007-08-09 US claimed
US-20070185323-A1 Method of preparing benzazepines and derivatives thereof ECOLE POLYTECHNIQUE (FR) 2007-08-09 US 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-20070185323-A1 Method of preparing benzazepines and derivatives thereof CYP2F1, MAOB, CYP1A2 HTT 3042/4885MEN1 1864/4885PKM 1184/4885

“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.