SCHEMBL2361883

SCHEMBL2361883

CNC(=O)c1cccc(-c2ccc(-n3c4c(c5cc(C)ccc53)CN(C)CC4)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.47
HDAC1 Q13547 2/20 0.45
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
HTR6 P50406 11/20 0.42
HRH1 P35367 9/20 0.41
ADRA2A P08913 4/20 0.41
HTR2A P28223 4/20 0.41
HTR2C P28335 4/20 0.41
HTR7 P34969 4/20 0.41
ADRA1A P35348 4/20 0.41
DRD2 P14416 3/20 0.41
GRIN1 Q05586 2/20 0.41
GRIN2A Q12879 2/20 0.41
GRIN2B Q13224 2/20 0.41
BCHE P06276 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL2362749 0.86 HDAC6 (0.49) HDAC6HDAC1BRD4CREBBPSIRT2
SCHEMBL12459318 0.85 HTR6 (0.44) HDAC6HDAC1BRD4CREBBPSIRT2
SCHEMBL2362646 0.83 HDAC6 (0.46) HDAC6HDAC1BRD4CREBBPSIRT2
SCHEMBL12459080 0.83 HDAC6 (0.47) HDAC6HDAC1BRD4CREBBPSIRT2
SCHEMBL3032268 0.82 HDAC6 (0.52) HDAC6HDAC1HTR6HRH1ADRA2A
SCHEMBL2362860 0.81 HTR6 (0.57) HDAC6SIRT2SIRT1HTR6HRH1
SCHEMBL2362745 0.81 HDAC6 (0.46) HDAC6HDAC1BRD4CREBBPSIRT2
SCHEMBL2362097 0.81 HTR6 (0.59) HDAC6HDAC1SIRT2HTR6HRH1
SCHEMBL12459366 0.80 HDAC6 (0.45) HDAC6HDAC1BRD4CREBBPSIRT2
SCHEMBL2361876 0.79 HTR6 (0.55) HDAC6HTR6HRH1ADRA2AHTR2A

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-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2016-02-04 US disclosed
US-9199985-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2015-12-01 US disclosed
US-9187471-B2 Pyrido [4,3-b] indole and pyrido [3,4-b] indole derivatives and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-11-17 US disclosed
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2014-10-02 US disclosed
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-05 US disclosed
WO-2012112962-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
WO-2012112963-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. (US) 2012-08-23 WO disclosed
WO-2011103430-A1 PYRIDO[4,3-B]INDOLE AND PYRIDO[3,4-B]INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-08-25 WO 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-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2829/4885HDAC1 1343/4885BRD4 561/4885
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2C, ADRA2B HDAC6 3060/4885HDAC1 2706/4885BRD4 522/4885
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C HDAC6 3044/4885HDAC1 4393/4885BRD4 777/4885

“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.