SCHEMBL449076

SCHEMBL449076

O=C(CCCCCN1Cc2c(cccc2-c2cccnc2)C1=O)NOCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.59
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
NAMPT P43490 4/20 0.42
HDAC3 O15379 6/20 0.42
NCOR2 Q9Y618 2/20 0.42
HDAC1 Q13547 5/20 0.42
HDAC2 Q92769 5/20 0.42
HDAC4 P56524 4/20 0.42
HDAC7 Q8WUI4 4/20 0.42
HDAC10 Q969S8 4/20 0.42
HDAC11 Q96DB2 4/20 0.42
HDAC8 Q9BY41 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
HDAC9 Q9UKV0 4/20 0.42
HDAC5 Q9UQL6 4/20 0.42
KMT2A Q03164 1/20 0.41
HTR1A P08908 1/20 0.39
HTR7 P34969 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
SCHEMBL446681 0.85 HDAC6 (0.44) DHPSKDM4EALDH1A1L3MBTL1NAMPT
SCHEMBL450373 0.85 HDAC3 (0.42) DHPSKDM4EALDH1A1HDAC3NCOR2
SCHEMBL450192 0.85 HDAC3 (0.42) DHPSKDM4EALDH1A1L3MBTL1HDAC3
SCHEMBL448667 0.84 DHPS (0.57) DHPSKDM4EALDH1A1L3MBTL1HDAC3
SCHEMBL449132 0.83 HDAC1 (0.44) DHPSKDM4EALDH1A1HDAC3NCOR2
SCHEMBL446713 0.83 HDAC3 (0.46) KDM4EALDH1A1HDAC3NCOR2HDAC1
SCHEMBL452736 0.82 ALDH1A1 (0.41) KDM4EALDH1A1HDAC3NCOR2HDAC1
SCHEMBL448022 0.81 HDAC1 (0.66) DHPSNAMPTHDAC3NCOR2HDAC1
SCHEMBL446499 0.78 POLB (0.41) ALDH1A1HDAC3NCOR2HDAC1HDAC2
SCHEMBL448030 0.77 HDAC3 (0.49) KDM4EALDH1A1HDAC3NCOR2HDAC1

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 DHPS 777/4885KDM4E 2116/4885ALDH1A1 2138/4885

“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.