SCHEMBL4136153

SCHEMBL4136153

CCOC(=O)c1ccc2c(c1)c1c(n2Cc2cccnc2)CCN(Cc2ccccc2)C1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.53
HDAC6 Q9UBN7 8/20 0.52
HDAC1 Q13547 6/20 0.52
HDAC10 Q969S8 1/20 0.52
CNR1 P21554 2/20 0.50
S1PR3 Q99500 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HRH1 P35367 1/20 0.46
HTR6 P50406 1/20 0.46
CNR2 P34972 1/20 0.46
SIRT2 Q8IXJ6 1/20 0.46

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
SCHEMBL4132622 0.94 HDAC6 (0.49) ACHEHDAC6HDAC1HDAC10CNR1
SCHEMBL4132541 0.94 HRH1 (0.53) ACHEHDAC6HDAC1HDAC10CNR1
SCHEMBL14067979 0.91 HDAC6 (0.61) HDAC6HDAC1HDAC10MEN1KMT2A
SCHEMBL4138899 0.89 HRH1 (0.59) ACHEHDAC6HDAC1HDAC10KDM4E
SCHEMBL4125429 0.87 HRH1 (0.55) ACHEHDAC6HDAC1HDAC10S1PR3
SCHEMBL4139584 0.83 ADRA2A (0.61) HDAC6HDAC1HDAC10MEN1KMT2A
SCHEMBL4137240 0.83 MEN1 (0.47) ACHEHDAC6HDAC1HDAC10MEN1
SCHEMBL4137803 0.82 HDAC6 (0.60) HDAC6HDAC1HDAC10CNR1CNR2
SCHEMBL14067987 0.81 HDAC1 (0.56) HDAC6HDAC1HDAC10CNR1MAPT
SCHEMBL4134103 0.80 HDAC6 (0.58) HDAC6HDAC1HDAC10KDM4EALDH1A1

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 ACHE 240/4885HDAC6 2884/4885HDAC1 4146/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ACHE 240/4885HDAC6 2884/4885HDAC1 4146/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ACHE 240/4885HDAC6 2884/4885HDAC1 4146/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ACHE 240/4885HDAC6 2884/4885HDAC1 4146/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A ACHE 240/4885HDAC6 2884/4885HDAC1 4146/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A ACHE 240/4885HDAC6 2884/4885HDAC1 4146/4885

“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.