SCHEMBL4132437

SCHEMBL4132437

CCOC(=O)c1cccc2c3c(n(Cc4cccnc4)c12)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
GABRA1 P14867 2/20 0.43
GABRA5 P31644 2/20 0.43
DDB1 Q16531 1/20 0.41
CRBN Q96SW2 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 2/20 0.40
POLB P06746 1/20 0.40
HRH1 P35367 1/20 0.40
HTR6 P50406 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
SCHEMBL4132839 0.91 HDAC1 (0.53) HDAC1HDAC6DDB1CRBNALDH1A1
SCHEMBL4127957 0.86 HDAC1 (0.55) HDAC1HDAC6SMN1; SMN2ADORA1FABP4
SCHEMBL4137240 0.84 MEN1 (0.47) HDAC1HDAC6GABRA1GABRA5ALDH1A1
SCHEMBL8034952 0.80 HDAC6 (0.57) HDAC1HDAC6ALDH1A1MEN1GAA
SCHEMBL4146181 0.78 HRH1 (0.47) HDAC1HDAC6ALDH1A1MEN1GAA
SCHEMBL8033155 0.75 HRH1 (0.52) HDAC1HDAC6GABRA1GABRA5ALDH1A1
SCHEMBL31119369 0.73 DDB1 (0.49) HDAC1HDAC6GABRA5DDB1CRBN
SCHEMBL30130189 0.73 DDB1 (0.49) HDAC1HDAC6GABRA5DDB1CRBN
SCHEMBL30670170 0.72 ADORA1 (0.51) DDB1CRBNALDH1A1MEN1GAA
SCHEMBL20558294 0.72 ADORA1 (0.51) DDB1CRBNALDH1A1MEN1GAA

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 2884/4885GABRA1 85/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885GABRA1 85/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885GABRA1 85/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885GABRA1 85/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885GABRA1 85/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC1 4146/4885HDAC6 2884/4885GABRA1 85/4885

“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.