SCHEMBL13293602

SCHEMBL13293602

C=C(Cn1c2c(c3cc(Cl)ccc31)CCN(C)CC2)c1ccc(Cl)cc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 5/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PTGDR2 Q9Y5Y4 3/20 0.43
PTGER2 P43116 1/20 0.43
PTGDR Q13258 1/20 0.43
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
AKR1B10 O60218 1/20 0.37
AKR1A1 P14550 1/20 0.37
AKR1B1 P15121 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADRA2A P08913 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL13293631 0.94 HRH1 (0.45) BAZ2BHDAC1HDAC6PTGDR2PTGDR
SCHEMBL2185667 0.93 HDAC1 (0.54) BAZ2BHDAC1HDAC6PTGDR2PTGER2
SCHEMBL13293604 0.87 BAZ2B (0.44) BAZ2BHDAC1HDAC6PTGDR2PTGER2
SCHEMBL3237891 0.87 HDAC1 (0.52) BAZ2BHDAC1HDAC6PTGDR2PTGER2
SCHEMBL13293599 0.85 HDAC1 (0.48) BAZ2BHDAC1HDAC6PTGDR2PTGER2
SCHEMBL13293627 0.85 PTGDR2 (0.55) BAZ2BHDAC1HDAC6PTGDR2PTGER2
SCHEMBL13293607 0.83 HDAC1 (0.47) BAZ2BHDAC1HDAC6PTGDR2PTGER2
SCHEMBL3237234 0.83 HDAC1 (0.48) BAZ2BHDAC1HDAC6PTGDR2HRH1
SCHEMBL13293622 0.83 HDAC1 (0.46) BAZ2BHDAC1HDAC6PTGDR2PTGER2
SCHEMBL13293593 0.82 BAZ2B (0.45) BAZ2BHDAC1HDAC6PTGDR2PTGER2

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-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9481676-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-11-01 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-9409910-B2 Azepino[4,5-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-08-09 US disclosed
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2014-03-27 US disclosed
US-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2010-06-17 US disclosed
WO-2010051503-A1 AZEPINO [4, 5-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2010-05-06 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-20130190295-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 BAZ2B 1409/4885HDAC1 1531/4885HDAC6 1266/4885
US-20100152163-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 BAZ2B 1409/4885HDAC1 1531/4885HDAC6 1266/4885
US-20140088087-A1 AZEPINO[4,5-B]INDOLES AND METHODS OF USE HTR2C, HTR5A, HTR4 BAZ2B 1409/4885HDAC1 1531/4885HDAC6 1266/4885

“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.