SCHEMBL169406

SCHEMBL169406

COc1ccc(C(CC(=O)O)Cn2c3c(c4cc(Cl)ccc42)CN(C)CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.53
HDAC1 Q13547 4/20 0.53
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
HRH1 P35367 5/20 0.50
HTR6 P50406 5/20 0.50
BAZ2B Q9UIF8 3/20 0.49
BCHE P06276 1/20 0.49
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
PTGDR2 Q9Y5Y4 2/20 0.45
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43

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
SCHEMBL13293836 0.94 BAZ2B (0.46) HDAC6HDAC1MAOAMAOBHRH1
SCHEMBL12820328 0.93 HDAC6 (0.45) HDAC6HDAC1MAOAMAOBHRH1
SCHEMBL168662 0.93 HDAC1 (0.58) HDAC6HDAC1HRH1HTR6BAZ2B
SCHEMBL10315933 0.91 HDAC6 (0.51) HDAC6HDAC1MAOAMAOBHRH1
SCHEMBL169190 0.91 HDAC6 (0.53) HDAC6HDAC1MAOAMAOBHRH1
SCHEMBL12933210 0.90 HDAC6 (0.55) HDAC6HDAC1HRH1HTR6BAZ2B
SCHEMBL167241 0.90 HDAC6 (0.50) HDAC6HDAC1MAOAMAOBHRH1
SCHEMBL13293842 0.86 BAZ2B (0.50) HDAC6HDAC1BAZ2BAKR1B10AKR1B1
SCHEMBL12820330 0.85 HDAC1 (0.48) HDAC6HDAC1BAZ2BAKR1B10AKR1B1
SCHEMBL13306462 0.84 HDAC6 (0.44) HDAC6HDAC1MAOAMAOBHRH1

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 40 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP claimed
US-8927571-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2015-01-06 US claimed
US-8741919-B2 Pyrido[4,3-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2014-06-03 US claimed
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US claimed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US claimed
CN-102480956-A Pyrido [4,3-b] indoles and methods of use MEDIVATION TECHNOLOGIES INC 2012-05-30 CN claimed
EP-2424366-A1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2012-03-07 EP claimed
WO-2011019417-A1 PYRIDO [4, 3-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2011-02-17 WO claimed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9550782-B2 Compounds and methods for treating diabetes MEDIVATION TECHNOLOGIES, INC. (US) 2017-01-24 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
US-9527854-B2 Compounds and methods for treatment of hypertension MEDIVATION TECHNOLOGIES, INC. (US) 2016-12-27 US disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
EP-2424366-B1 PYRIDO [4, 3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES INC (US) 2016-02-17 EP disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2013-02-28 US disclosed
WO-2012154261-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2012-11-15 WO disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 US disclosed
US-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2012-07-05 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 (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-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC6 3393/4885HDAC1 4018/4885MAOA 75/4885
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC6 3393/4885HDAC1 4018/4885MAOA 75/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2844/4885HDAC1 1375/4885MAOA 263/4885

“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.