SCHEMBL1083253

SCHEMBL1083253

C=CC(=O)Nc1ccc(Oc2ccc(N)cc2)cc1C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 0.44
BRAF P15056 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
GAA P10253 3/20 0.40
EGFR P00533 5/20 0.39
BTK Q06187 5/20 0.39
KCNH2 Q12809 1/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 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
SCHEMBL21431006 0.84 TGM2 (0.56) TGM2GAAEGFRHPGDSMN1; SMN2
SCHEMBL1082208 0.83 TGM2 (0.50) TGM2HDAC1HDAC8HDAC6GAA
SCHEMBL8151106 0.83 TGM2 (0.49) TGM2BRAFHDAC1HDAC3HDAC4
SCHEMBL1083277 0.81 TDP1 (0.54) TGM2SMN1; SMN2ALDH1A1MAPTMAPK1
SCHEMBL1082215 0.80 TGM2 (0.57) TGM2BRAFHDAC1HDAC3HDAC4
SCHEMBL3265331 0.78 CA12 (0.56) TGM2GAAHPGDSMN1; SMN2HTT
SCHEMBL7122639 0.78 GAA (0.56) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL1026723 0.77 BRAF (0.56) BRAFHDAC1HDAC3HDAC4HDAC7
SCHEMBL3267660 0.76 PTPRC (0.44) TGM2GAAHPGDSMN1; SMN2HTT
SCHEMBL4736951 0.76 ABL1 (0.49) TGM2GAAHPGDSMN1; SMN2HTT

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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (LV) 2011-03-24 US disclosed
EP-2274280-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS Biolipox AB (SE) 2011-01-19 EP disclosed
WO-2009127822-A2 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS BIOLIPOX AB (SE) 2009-10-22 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 (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-20110071197-A1 BIS-ARYL COMPOUNDS FOR USE AS MEDICAMENTS LTC4S, LTB4R2, LTB4R TGM2 2255/4885BRAF 4179/4885HDAC1 1974/4885

“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.