SCHEMBL1481944

SCHEMBL1481944

CCn1cc(-c2ccc(C(=O)NC)cc2)nc1/C=C/c1ccc(-c2ccc(OCCCC(=O)OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.41
HDAC6 Q9UBN7 4/20 0.39
HDAC1 Q13547 3/20 0.39
KDM1A O60341 1/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC4 P56524 2/20 0.37
HDAC7 Q8WUI4 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC10 Q969S8 2/20 0.37
HDAC11 Q96DB2 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
HDAC9 Q9UKV0 2/20 0.37
HDAC5 Q9UQL6 2/20 0.37
TBXAS1 P24557 1/20 0.37
PDE3B Q13370 4/20 0.36
PDE3A Q14432 4/20 0.36

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
SCHEMBL1481948 1.00 PLK1 (0.41) PLK1HDAC6HDAC1KDM1AALDH1A1
SCHEMBL1480964 0.92 PPARA (0.42) PLK1HDAC6HDAC1KDM1AALDH1A1
SCHEMBL1480967 0.92 PPARA (0.42) PLK1HDAC6HDAC1KDM1AALDH1A1
SCHEMBL1481426 0.90 HDAC6 (0.45) HDAC6HDAC1KDM1AHDAC3HDAC4
SCHEMBL1481429 0.90 HDAC6 (0.45) HDAC6HDAC1KDM1AHDAC3HDAC4
SCHEMBL1481613 0.89 LTB4R (0.44) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1481616 0.89 LTB4R (0.44) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1480835 0.89 PPARA (0.46) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1480838 0.89 PPARA (0.46) HDAC6HDAC1HDAC3HDAC4HDAC7
SCHEMBL1481459 0.89 PTGS2 (0.47) HDAC6HDAC1MAPTHDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents TRANSTECH PHARMA, INC. (US) 2011-03-31 US disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 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-20040192743-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ PLK1 3205/4885HDAC6 1595/4885HDAC1 1874/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ PLK1 3205/4885HDAC6 1595/4885HDAC1 1874/4885

“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.