SCHEMBL259181

SCHEMBL259181

COC(=O)CCC(=O)Nc1cccc(C)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HDAC3 O15379 2/20 0.64
HDAC1 Q13547 2/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC10 Q969S8 2/20 0.64
HDAC11 Q96DB2 2/20 0.64
HDAC8 Q9BY41 2/20 0.64
HDAC6 Q9UBN7 2/20 0.64
HDAC4 P56524 1/20 0.64
HDAC7 Q8WUI4 1/20 0.64
HDAC9 Q9UKV0 1/20 0.64
HDAC5 Q9UQL6 1/20 0.64
NCOR2 Q9Y618 1/20 0.62
NPC1 O15118 1/20 0.59
POLB P06746 1/20 0.59
RAB9A P51151 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HPGD P15428 1/20 0.59
PTPRC P08575 2/20 0.58

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
SCHEMBL8277632 0.87 HPGD (0.62) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL14948852 0.84 HDAC3 (0.64) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL259380 0.84 HDAC3 (0.68) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL31611777 0.84 HDAC3 (0.68) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL3908274 0.83 MEN1 (0.63) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL9789930 0.83 MAPK1 (0.66) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL13994594 0.82 HDAC3 (0.69) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL14679379 0.82 HDAC3 (0.69) MEN1KMT2AHDAC3HDAC1HDAC2
SCHEMBL5346635 0.82 ALDH1A1 (0.74) MEN1KMT2APOLBRAB9AL3MBTL1
SCHEMBL2014002 0.81 MEN1 (0.72) MEN1KMT2AHDAC3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885HDAC3 162/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885HDAC3 162/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A MEN1 3330/4885KMT2A 1722/4885HDAC3 162/4885

“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.