Sugi Predict

Sugi Predict / Compounds / SCHEMBL168914

SCHEMBL168914

SCHEMBL168914

CNC(=O)CC(Cn1c2c(c3cc(Cl)ccc31)CN(C)CC2)c1ccc(Cl)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 10/20 0.58
▸ HDAC1 Q13547 8/20 0.58
▸ BAZ2B Q9UIF8 5/20 0.56
▸ GRIN2D O15399 1/20 0.45
▸ GRIN3B O60391 1/20 0.45
▸ GRIN1 Q05586 1/20 0.45
▸ GRIN2A Q12879 1/20 0.45
▸ GRIN2B Q13224 1/20 0.45
▸ GRIN2C Q14957 1/20 0.45
▸ GRIN3A Q8TCU5 1/20 0.45
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL13293859 0.94 BAZ2B (0.52) HDAC6HDAC1BAZ2BGRIN2DGRIN3B
SCHEMBL169190 0.93 HDAC6 (0.53) HDAC6HDAC1BAZ2BGRIN2DGRIN3B
SCHEMBL14729224 0.93 BAZ2B (0.49) HDAC6HDAC1BAZ2BGRIN2DGRIN3B
SCHEMBL168879 0.90 HDAC6 (0.53) HDAC6HDAC1BAZ2BGRIN2DGRIN3B
SCHEMBL168662 0.90 HDAC1 (0.58) HDAC6HDAC1BAZ2BGRIN2DGRIN3B
SCHEMBL10315935 0.87 HDAC6 (0.55) HDAC6HDAC1BAZ2BGRIN2DGRIN3B
SCHEMBL13293858 0.87 BAZ2B (0.48) HDAC6HDAC1BAZ2BPTGDR2BCHE
SCHEMBL14729225 0.86 BAZ2B (0.45) HDAC6HDAC1BAZ2BHDAC3HDAC2
SCHEMBL169642 0.85 HDAC6 (0.54) HDAC6HDAC1BAZ2BGRIN2DGRIN3B
SCHEMBL168439 0.85 HDAC6 (0.52) HDAC6HDAC1BAZ2BGRIN2DGRIN3B

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 34 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
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
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION MEDIVATION TECHNOLOGIES, INC. 2015-09-24 — — US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US disclosed
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 — — US 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
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 — — US disclosed
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES MEDIVATION TECHNOLOGIES, INC. 2013-02-28 — — 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 (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-20120172377-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC6 3393/4885HDAC1 4018/4885BAZ2B 1146/4885
US-20130190331-A1 PYRIDO[4,3-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C HDAC6 3393/4885HDAC1 4018/4885BAZ2B 1146/4885
US-20130053366-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2844/4885HDAC1 1375/4885BAZ2B 576/4885
US-20130190294-A1 COMPOUNDS AND METHODS FOR TREATING DIABETES ADRB2, ADRA2B, ADRA2C HDAC6 3173/4885HDAC1 2449/4885BAZ2B 669/4885
US-20150266884-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 HDAC6 2844/4885HDAC1 1375/4885BAZ2B 576/4885
US-20130053367-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2B, ADRA2C HDAC6 3097/4885HDAC1 2415/4885BAZ2B 664/4885

“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.