SCHEMBL4859959

SCHEMBL4859959

Nc1cc(C(F)(F)F)ccc1Nc1cc(Cl)ccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GRIK1 P39086 4/20 0.57
MPO P05164 2/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
GFER P55789 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
ACLY P53396 1/20 0.50
KDM1A O60341 1/20 0.50
KCNK2 O95069 2/20 0.47
KCNK10 P57789 2/20 0.47
TAS2R14 Q9NYV8 3/20 0.47
CFTR P13569 1/20 0.47
LIPC P11150 1/20 0.44
LIPG Q9Y5X9 1/20 0.44

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
SCHEMBL10872978 0.82 GRIK1 (0.48) KDM4EALDH1A1HSD17B10GRIK1MEN1
SCHEMBL9119813 0.81 CHRNA7 (0.53) KDM4EALDH1A1HPGDHSD17B10MPO
Hydrochloric Acid SCHEMBL9119630 0.80 CHRNA7 (0.52) KDM4EALDH1A1HPGDHSD17B10MPO
Hydrochloric Acid SCHEMBL10720962 0.80 GRIK1 (0.46) KDM4EALDH1A1HSD17B10GRIK1MEN1
SCHEMBL11603313 0.78 GRIK1 (0.62) KDM4EALDH1A1GRIK1MEN1KMT2A
SCHEMBL10385394 0.78 MPO (0.81) ALDH1A1GRIK1MPOMEN1KMT2A
SCHEMBL29835007 0.78 MPO (0.81) ALDH1A1GRIK1MPOMEN1KMT2A
SCHEMBL4854787 0.78 MEN1 (0.47) KDM4EALDH1A1HSD17B10GRIK1MEN1
SCHEMBL4848735 0.77 AKR1C3 (0.64) HPGDGRIK1MEN1KMT2AMAPT
SCHEMBL3718012 0.76 TAS2R14 (0.58) KDM4EALDH1A1HPGDHSD17B10GRIK1

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
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
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 KDM4E 1309/4885ALDH1A1 2391/4885HPGD 1229/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 KDM4E 1406/4885ALDH1A1 3257/4885HPGD 1055/4885

“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.