SCHEMBL4134103

SCHEMBL4134103

CCOC(=O)c1ccc2c(c1)c1c(n2Cc2ccncc2)CCN(C)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.58
HDAC1 Q13547 8/20 0.58
HRH1 P35367 5/20 0.56
HTR6 P50406 5/20 0.56
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPK1 P28482 1/20 0.52
HSD17B10 Q99714 1/20 0.52
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
NCOR2 Q9Y618 1/20 0.52

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
SCHEMBL4139584 0.90 ADRA2A (0.61) HDAC6HDAC1HRH1HTR6ALDH1A1
SCHEMBL4138899 0.89 HRH1 (0.59) HDAC6HDAC1HRH1HTR6ALDH1A1
SCHEMBL14067991 0.87 HDAC6 (0.74) HDAC6HDAC1HRH1HTR6HDAC3
SCHEMBL8038614 0.85 HDAC6 (0.61) HDAC6HDAC1HRH1HTR6HDAC3
SCHEMBL14067983 0.83 HDAC6 (0.65) HDAC6HDAC1HRH1HTR6HDAC3
SCHEMBL14067987 0.82 HDAC1 (0.56) HDAC6HDAC1HRH1HTR6HDAC3
SCHEMBL4132541 0.80 HRH1 (0.53) HDAC6HDAC1HRH1HTR6HDAC10
SCHEMBL4137803 0.80 HDAC6 (0.60) HDAC6HDAC1HDAC3HDAC10HDAC11
SCHEMBL4136153 0.80 ACHE (0.53) HDAC6HDAC1HRH1HTR6ALDH1A1
SCHEMBL8038660 0.79 HTR6 (0.82) HRH1HTR6ALDH1A1CHRM2HTR1A

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 HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20130131054-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20130203746-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20130190304-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20090239854-A1 Tetracyclic compounds HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885
US-20140194414-A1 TETRACYCLIC COMPOUNDS HTR2C, HTR3D, HTR5A HDAC6 2884/4885HDAC1 4146/4885HRH1 31/4885

“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.