SCHEMBL448667

SCHEMBL448667

O=C(CCCCCN1Cc2c(cccc2-c2cccnc2)C1=O)NO

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.57
HDAC1 Q13547 13/20 0.54
HDAC2 Q92769 12/20 0.54
HDAC8 Q9BY41 11/20 0.54
HDAC6 Q9UBN7 10/20 0.54
HDAC3 O15379 9/20 0.54
HDAC4 P56524 8/20 0.54
HDAC7 Q8WUI4 8/20 0.54
HDAC10 Q969S8 8/20 0.54
HDAC11 Q96DB2 8/20 0.54
HDAC9 Q9UKV0 8/20 0.54
HDAC5 Q9UQL6 8/20 0.54
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 1/20 0.47
LTA4H P09960 1/20 0.47
KMT2A Q03164 1/20 0.47
NCOR2 Q9Y618 1/20 0.47
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TUBB4A P04350 1/20 0.44

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
SCHEMBL448022 0.85 HDAC1 (0.66) DHPSHDAC1HDAC2HDAC8HDAC6
SCHEMBL449076 0.84 DHPS (0.59) DHPSHDAC1HDAC2HDAC8HDAC6
SCHEMBL446509 0.83 HDAC6 (0.57) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL452641 0.82 HDAC6 (0.51) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL450374 0.82 HDAC6 (0.56) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL448767 0.80 HDAC1 (0.50) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL450460 0.78 HDAC1 (0.50) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL450529 0.74 DRD2 (0.46) DHPSHDAC1HDAC2HDAC8HDAC6
SCHEMBL449686 0.73 HDAC1 (0.73) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL446886 0.73 HDAC1 (0.51) HDAC1HDAC2HDAC8HDAC6HDAC3

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-20120065396-A1 ISOINDOLINONE DERIVATIVES, PREPARATION METHOD THEREOF AND A PHARMACEUTICAL COMPOSITION COMPRISING SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2012-03-15 US claimed
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 777/4885HDAC1 761/4885HDAC2 641/4885

“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.