SCHEMBL4132839

SCHEMBL4132839

CCOC(=O)c1cccc2c3c(n(Cc4ccncc4)c12)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.53
HDAC6 Q9UBN7 4/20 0.53
FABP4 P15090 7/20 0.42
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ADORA1 P30542 1/20 0.40
FABP3 P05413 1/20 0.40
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL4132437 0.91 HDAC1 (0.49) HDAC1HDAC6FABP4TP53POLB
SCHEMBL4127957 0.90 HDAC1 (0.55) HDAC1HDAC6FABP4SMN1; SMN2ADORA1
SCHEMBL4125190 0.79 HDAC6 (0.47) HDAC1HDAC6FABP4MEN1KMT2A
SCHEMBL8041005 0.79 HDAC6 (0.60) HDAC1HDAC6MEN1KMT2AALDH1A1
SCHEMBL4137240 0.76 MEN1 (0.47) HDAC1HDAC6FABP4MEN1KMT2A
SCHEMBL8035252 0.74 HDAC6 (0.54) HDAC1HDAC6MEN1KMT2AALDH1A1
SCHEMBL20558294 0.74 ADORA1 (0.51) TP53POLBMEN1KMT2AALDH1A1
SCHEMBL30670170 0.74 ADORA1 (0.51) TP53POLBMEN1KMT2AALDH1A1
SCHEMBL14067833 0.74 HDAC1 (0.49) HDAC1HDAC6LMNADDB1CRBN
SCHEMBL14067841 0.73 HDAC1 (0.61) HDAC1HDAC6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9181240-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-10 US disclosed
US-9096591-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-04 US disclosed
US-20150182509-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. 2015-07-02 US disclosed
US-9034880-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-05-19 US disclosed
US-8999978-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2015-04-07 US disclosed
US-20140194414-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2014-07-10 US disclosed
US-20130203746-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES INC. 2013-08-08 US disclosed
US-20130190304-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130131054-A1 TETRACYCLIC COMPOUNDS MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-8338408-B2 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
US-20090239854-A1 Tetracyclic compounds MEDIVATION TECHNOLOGIES, INC. 2009-09-24 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 (6 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-20150182509-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885FABP4 4398/4885

“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.