SCHEMBL4857922

SCHEMBL4857922

COC(=O)c1cc(C)c(Cl)cc1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
ABL1 P00519 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CFTR P13569 1/20 0.40
PTGS2 P35354 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 3/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.37
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37

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
SCHEMBL16662001 0.85 GAA (0.51) GAAABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL18432300 0.83 GAA (0.46) GAAABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL14666358 0.80 CFTR (0.53) GAAABL1LMNAALDH1A1KDM4E
SCHEMBL7177999 0.80 CA12 (0.50) GAAABL1LMNASMN1; SMN2KDM4E
SCHEMBL7863946 0.79 GAA (0.50) GAAABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL19045818 0.79 GAA (0.50) GAAABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL25455691 0.79 CFTR (0.46) GAAABL1LMNAALDH1A1KDM4E
SCHEMBL12488367 0.79 CFTR (0.43) GAAABL1LMNASMN1; SMN2ALDH1A1
SCHEMBL13696490 0.79 GAA (0.63) GAALMNASMN1; SMN2ALDH1A1KDM4E
SCHEMBL17030839 0.79 ABL1 (0.57) GAAABL1ALDH1A1KDM4ECFTR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
US-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US disclosed
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 US disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 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 (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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 GAA 2002/4885ABL1 45/4885LMNA 2735/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 GAA 1745/4885ABL1 32/4885LMNA 2659/4885

“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.