SCHEMBL1481616

SCHEMBL1481616

CCn1cc(-c2ccc(-c3ccccc3)cc2)nc1C=Cc1ccc(-c2ccc(OCCCC(=O)OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 1/20 0.44
PPARA Q07869 2/20 0.42
HDAC1 Q13547 9/20 0.41
HDAC6 Q9UBN7 9/20 0.41
HDAC3 O15379 8/20 0.41
HDAC4 P56524 8/20 0.41
HDAC7 Q8WUI4 8/20 0.41
HDAC2 Q92769 8/20 0.41
HDAC10 Q969S8 8/20 0.41
HDAC11 Q96DB2 8/20 0.41
HDAC8 Q9BY41 8/20 0.41
HDAC9 Q9UKV0 8/20 0.41
HDAC5 Q9UQL6 8/20 0.41
FAAH O00519 1/20 0.40
PTPN2 P17706 2/20 0.40
PTPN1 P18031 2/20 0.40
MMP3 P08254 1/20 0.40
PLA2G2A P14555 1/20 0.40
PDE3B Q13370 1/20 0.39
PDE3A Q14432 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
SCHEMBL1481613 1.00 LTB4R (0.44) LTB4RPPARAHDAC1HDAC6HDAC3
SCHEMBL1480406 0.95 LTB4R (0.41) LTB4RPPARAHDAC1HDAC6HDAC3
SCHEMBL1480408 0.95 LTB4R (0.41) LTB4RPPARAHDAC1HDAC6HDAC3
SCHEMBL1481429 0.94 HDAC6 (0.45) PPARAHDAC1HDAC6HDAC3HDAC4
SCHEMBL1481426 0.94 HDAC6 (0.45) PPARAHDAC1HDAC6HDAC3HDAC4
SCHEMBL1481454 0.92 PTGS2 (0.47) PPARAHDAC1HDAC6HDAC3HDAC4
SCHEMBL1481459 0.92 PTGS2 (0.47) PPARAHDAC1HDAC6HDAC3HDAC4
SCHEMBL1481721 0.92 PPARA (0.52) LTB4RPPARA
SCHEMBL1481717 0.92 PPARA (0.52) LTB4RPPARA
SCHEMBL1481482 0.91 MMP3 (0.44) HDAC1HDAC6HDAC3HDAC4HDAC7

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 5 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
EP-1594847-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS Transtech Pharma, Inc. (US) 2005-11-16 EP disclosed
WO-2004071447-A9 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC (US) 2005-10-13 WO disclosed
US-20040192743-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-30 US disclosed
WO-2004071447-A2 SUBSTITUTED AZOLE DERIVATIVES AS THERAPEUTIC AGENTS TRANSTECH PHARMA INC. (US) 2004-08-26 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 (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 LTB4R 2564/4885PPARA 2236/4885HDAC1 1874/4885
US-20110077399-A1 Substituted Azole Derivatives as Therapeutic Agents PTPRS, PTPRO, PTPRJ LTB4R 2564/4885PPARA 2236/4885HDAC1 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.