SCHEMBL6854416

SCHEMBL6854416

Nc1ccc(I)cc1C(=O)c1cccc(Cl)c1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.51
PARP1 P09874 1/20 0.50
RECQL P46063 1/20 0.46
FADS1 O60427 2/20 0.46
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.42
GFER P55789 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL6341269 0.87 RECQL (0.60) ALOX15PARP1RECQLFADS1POLB
SCHEMBL28751447 0.86 RECQL (0.56) ALOX15RECQLPOLBMAPTALDH1A1
SCHEMBL9383428 0.84 MAPT (0.54) RECQLPOLBMAPTALDH1A1GAA
SCHEMBL5740187 0.82 MAPT (0.65) ALOX15PARP1RECQLFADS1POLB
SCHEMBL29963936 0.82 MAPT (0.65) ALOX15PARP1RECQLFADS1POLB
SCHEMBL1877051 0.82 MAPT (0.64) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL29980197 0.82 MAPT (0.64) POLBMAPTALDH1A1GAAKMT2A
SCHEMBL1757757 0.81 MAPT (0.69) ALOX15PARP1RECQLFADS1POLB
SCHEMBL3025938 0.78 PARP1 (0.53) ALOX15PARP1ALDH1A1
SCHEMBL5484462 0.78 CES2 (0.53) MAPTALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALOX15 4082/4885PARP1 2042/4885RECQL 1716/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 ALOX15 4082/4885PARP1 2042/4885RECQL 1716/4885

“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.