SCHEMBL2589935

SCHEMBL2589935

COc1cc(CCNCc2ccc(N3CCN(C)CC3)cc2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 0.54
SIRT6 Q8N6T7 5/20 0.53
HTR6 P50406 5/20 0.50
ALDH1A1 P00352 2/20 0.48
HTR2A P28223 1/20 0.47
MAPT P10636 2/20 0.45
POLB P06746 2/20 0.43
LMNA P02545 2/20 0.43
EGFR P00533 1/20 0.42

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
SCHEMBL2593352 0.86 MAPT (0.49) CHEK1ALDH1A1HTR2AMAPTLMNA
SCHEMBL2593407 0.82 HTR2A (0.56) CHEK1ALDH1A1HTR2A
SCHEMBL14768412 0.82 HTR2A (0.54) ALDH1A1HTR2APOLBLMNA
SCHEMBL2589906 0.76 HTR2A (0.52) CHEK1ALDH1A1HTR2A
SCHEMBL16206580 0.74 ALDH1A1 (0.46) HTR6ALDH1A1HTR2AMAPTLMNA
SCHEMBL14968913 0.74 HTR2A (0.57) HTR6ALDH1A1HTR2APOLBLMNA
SCHEMBL30068242 0.73 HTR2A (0.65) ALDH1A1HTR2A
SCHEMBL30068289 0.73 HTR2A (0.65) ALDH1A1HTR2A
SCHEMBL12184182 0.73 CHEK1 (0.81) CHEK1
SCHEMBL27173101 0.72 HTR2A (0.64) ALDH1A1HTR2A

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 CHEK1 105/4885SIRT6 2954/4885HTR6 994/4885

“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.