SCHEMBL3459833

SCHEMBL3459833

O=C(NCc1c(F)cccc1F)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
MAPK14 Q16539 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.52
HDAC6 Q9UBN7 4/20 0.51
HPGD P15428 2/20 0.51
HDAC1 Q13547 2/20 0.51
ALDH1A1 P00352 1/20 0.51
HDAC2 Q92769 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
ERCC1 P07992 1/20 0.49
ERCC4 Q92889 1/20 0.49
ROCK2 O75116 2/20 0.48
APOBEC3A P31941 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL3460926 0.89 LMNA (0.64) LMNAROCK2
SCHEMBL4518408 0.88 MAPK14 (0.52) MAPK14MEN1KMT2ALMNAROCK2
SCHEMBL5644578 0.86 GAA (0.52) GAAMEN1KMT2ALMNAHDAC6
SCHEMBL13947087 0.85 POLB (0.54) GAAMAPK14MEN1KMT2ALMNA
SCHEMBL9710291 0.84 LMNA (0.43) GAAMAPK14MEN1KMT2ALMNA
SCHEMBL2914008 0.82 HPGD (0.65) LMNAHPGDALDH1A1
SCHEMBL4503792 0.81 EPHX2 (0.53) MAPK14MEN1KMT2AHDAC1ALDH1A1
SCHEMBL3557822 0.81 CYP1A2 (0.48) MAPK14MEN1KMT2AALDH1A1ROCK2
SCHEMBL5648574 0.80 LMNA (0.75) GAAMEN1KMT2ALMNAHDAC6
SCHEMBL678297 0.80 CA2 (0.64) KMT2A

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-7704995-B2 Protein kinase modulators and methods of use EXELIXIS, INC. (US) 2010-04-27 US disclosed
US-7241759-B2 Benzo[1,2,5]thiadiazole compounds JANSSEN PHARMACEUTICA N.V. (BE) 2007-07-10 US disclosed
US-20060211709-A1 Protein kinase modulators and methods of use EXELIXIS, INC. 2006-09-21 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-20060211709-A1 Protein kinase modulators and methods of use GRK2, MAP4K2, MAPKAPK2 GAA 3885/4885MAPK14 103/4885MEN1 4800/4885

“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.