SCHEMBL450113

SCHEMBL450113

COC(=O)CCCCCN1Cc2c(cc(OC)c(OC)c2-c2cc(F)cc(F)c2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.36
KAT2B Q92831 2/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HTR7 P34969 1/20 0.33
HDAC2 Q92769 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL450252 0.91 KDM4E (0.43) HDAC1KDM4EALDH1A1HPGDCNR2
SCHEMBL438418 0.89 HDAC1 (0.37) HDAC1KAT2BKDM4EALDH1A1HPGD
SCHEMBL437105 0.87 FAAH (0.40) HDAC1KDM4EALDH1A1HPGDHTR7
SCHEMBL452313 0.85 S1PR1 (0.36) HDAC1KDM4EALDH1A1HPGD
SCHEMBL450140 0.83 EGFR (0.41) ALDH1A1
SCHEMBL438402 0.82 HDAC1 (0.42) HDAC1KAT2BKDM4EALDH1A1HPGD
SCHEMBL438425 0.80 KDM4E (0.46) HDAC1KDM4EALDH1A1HPGDCNR2
SCHEMBL437104 0.79 KDM4E (0.47) HDAC1KDM4EALDH1A1HPGDHTR7
SCHEMBL450867 0.77 KDM4E (0.42) HDAC1KDM4EALDH1A1HPGD
SCHEMBL449182 0.73 HDAC1 (0.59) HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716326-B2 Isoindolinone derivatives, preparation method thereof and a pharmaceutical composition comprising same KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2014-05-06 US disclosed
EP-2429987-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME Korea Research Institute Of Chemical Technology (KR) 2012-03-21 EP disclosed
US-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US disclosed
WO-2010131922-A2 AMIDE COMPOUND, PREPARATION METHOD THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2010-11-18 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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME PPIP5K2, SOST, ALPL HDAC1 761/4885KAT2B 4511/4885KDM4E 2116/4885

“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.