SCHEMBL1481482

SCHEMBL1481482

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 6/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC1 Q13547 2/20 0.44
MMP2 P08253 5/20 0.43
MMP1 P03956 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
EGFR P00533 1/20 0.40
AKT1 P31749 1/20 0.40
AKT2 P31751 1/20 0.40
AKT3 Q9Y243 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
PDE3B Q13370 3/20 0.38

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
SCHEMBL1481484 1.00 MMP3 (0.44) MMP3HDAC2HDAC1MMP2MMP1
SCHEMBL1481426 0.92 HDAC6 (0.45) HDAC2HDAC1EGFRPDE3BPDE3A
SCHEMBL1481429 0.92 HDAC6 (0.45) HDAC2HDAC1EGFRPDE3BPDE3A
SCHEMBL1481616 0.91 LTB4R (0.44) MMP3HDAC2HDAC1PDE3BPDE3A
SCHEMBL1481323 0.91 MMP2 (0.50) MMP3HDAC2HDAC1MMP2MMP1
SCHEMBL1481325 0.91 MMP2 (0.50) MMP3HDAC2HDAC1MMP2MMP1
SCHEMBL1481613 0.91 LTB4R (0.44) MMP3HDAC2HDAC1PDE3BPDE3A
SCHEMBL1481454 0.90 PTGS2 (0.47) HDAC2HDAC1HRH2HRH1PDE3B
SCHEMBL1481459 0.90 PTGS2 (0.47) HDAC2HDAC1HRH2HRH1PDE3B
SCHEMBL1480835 0.89 PPARA (0.46) HDAC2HDAC1PDE3BPDE3AP2RY12

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 MMP3 1787/4885HDAC2 2979/4885HDAC1 1874/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ MMP3 1787/4885HDAC2 2979/4885HDAC1 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.