SCHEMBL2589906

SCHEMBL2589906

COc1cc(CCNCc2cccc(F)c2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 8/20 0.52
CHEK1 O14757 2/20 0.51
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MPO P05164 1/20 0.46
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HTR2C P28335 2/20 0.43
BCHE P06276 1/20 0.41

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
SCHEMBL30068214 0.91 HTR2A (0.54) HTR2AMEN1KMT2AMPOALDH1A1
SCHEMBL2593407 0.89 HTR2A (0.56) HTR2ACHEK1MEN1KMT2AALDH1A1
SCHEMBL14768412 0.88 HTR2A (0.54) HTR2AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL30068222 0.79 HTR2A (0.54) HTR2AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL30068289 0.78 HTR2A (0.65) HTR2AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27173101 0.78 HTR2A (0.64) HTR2AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL16206580 0.78 ALDH1A1 (0.46) HTR2AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL14968913 0.78 HTR2A (0.57) HTR2AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL27173123 0.78 HTR2A (0.67) HTR2AMEN1KMT2AALDH1A1CYP1A2
SCHEMBL2589935 0.76 CHEK1 (0.54) HTR2ACHEK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716287-B2 Pharmaceutical compounds SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
EP-2569290-A2 PHARMACEUTICAL COMPOUNDS Sentinel Oncology Limited (GB) 2013-03-20 EP disclosed
US-20130065900-A1 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2013-03-14 US disclosed
WO-2011141716-A2 PHARMACEUTICAL COMPOUNDS SENTINEL ONCOLOGY LIMITED (GB) 2011-11-17 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-20130065900-A1 PHARMACEUTICAL COMPOUNDS CSNK1A1, FRK, CSNK1E HTR2A 1755/4885CHEK1 105/4885MEN1 390/4885

“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.