SCHEMBL4389956

SCHEMBL4389956

NCCCSc1ccc(O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
LMNA P02545 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
NR1H2 P55055 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KCNH2 Q12809 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTR3A P46098 1/20 0.41
BACE1 P56817 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABAT P80404 1/20 0.39

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
Hydrochloric Acid SCHEMBL11326487 0.98 CA2 (0.46) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL5382245 0.86 CA2 (0.50) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL537146 0.86 LMNA (0.56) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL536376 0.86 LMNA (0.51) CA2LMNACTDSP1NR1H2HSP90AA1
Hydrochloric Acid SCHEMBL5384426 0.84 CA2 (0.48) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL10698165 0.84 LMNA (0.54) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL10699634 0.84 LMNA (0.54) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL10407904 0.81 NR1H2 (0.55) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL3235087 0.80 CA2 (0.56) CA2LMNACTDSP1NR1H2HSP90AA1
SCHEMBL26192698 0.80 LMNA (0.47) CA2LMNACTDSP1NR1H2HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7572908-B2 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US disclosed
US-7572908-B2 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US disclosed
US-7572908-B2 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. (US) 2009-08-11 US disclosed
WO-2007112264-A2 CLEAVABLE LINKERS FOR POLYNUCLEOTIDES AGILENT TECHNOLOGIES, INC. (US) 2007-10-04 WO disclosed
US-20070224603-A1 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. 2007-09-27 US disclosed
US-20070224603-A1 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. 2007-09-27 US disclosed
US-20070224603-A1 Cleavable linkers for polynucleotides AGILENT TECHNOLOGIES, INC. 2007-09-27 US disclosed
US-6171520-B1 Reagents for labeling SH groups, process for the preparation of them and method for labeling with them SS PHARMACEUTICAL CO., LTD. (JP) 2001-01-09 US disclosed
EP-0844246-A1 REAGENTS FOR LABELING SH GROUPS, PROCESS FOR THE PREPARATION OF THEM, AND METHOD FOR LABELING WITH THEM SS Pharmaceutical Co., Ltd. (JP) 1998-05-27 EP disclosed
US-4246201-A Substituted N-(3-phenylthiopropyl)-3,3-diphenyl-propylamines possessing pharmacological activity ALFA FARMACEUTICI, S.P.A. (IT) 1981-01-20 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-20070224603-A1 Cleavable linkers for polynucleotides PNKP, PCNA, TYMP CA2 4010/4885LMNA 133/4885CTDSP1 21/4885

“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.