SCHEMBL2345322

SCHEMBL2345322

CNC(=O)c1scc(Br)c1Br

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 2/20 0.52
▸ BAZ2B Q9UIF8 1/20 0.46
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ USP2 O75604 1/20 0.40
▸ CREBBP Q92793 1/20 0.36
▸ CDC7 O00311 1/20 0.36
▸ DBF4 Q9UBU7 1/20 0.36
▸ GPR35 Q9HC97 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ PLK1 P53350 1/20 0.34
▸ HPGD P15428 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33

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
SCHEMBL15519348 0.80 BAZ2B (0.44) GSK3BBAZ2BHDAC8HDAC6HDAC2
SCHEMBL14511473 0.77 F10 (0.45) GSK3BBAZ2BHDAC8HDAC6HDAC2
SCHEMBL2982713 0.76 GSK3B (0.57) GSK3BGPR35ALDH1A1NPSR1POLB
SCHEMBL4584130 0.73 GSK3B (0.59) GSK3BGPR35POLB
SCHEMBL27447830 0.71 GSK3B (0.61) GSK3BGPR35
SCHEMBL27708243 0.71 GSK3B (0.68) GSK3BGPR35NPC1RAB9ASMN1; SMN2
SCHEMBL8572414 0.71 BAZ2B (0.46) GSK3BBAZ2BHDAC8HDAC6HDAC2
SCHEMBL7041123 0.70 GSK3B (0.55) GSK3BGPR35
SCHEMBL6784082 0.68 GSK3B (1.00) GSK3BGPR35ALDH1A1MAPT
SCHEMBL14511472 0.68 BAZ2B (0.44) BAZ2BHDAC8HDAC6HDAC2USP2

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 9 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
US-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2013-07-25 — — 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 (4 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-20130190293-A1 PYRIDO [4,3-B] INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C GSK3B 102/4885BAZ2B 1528/4885HDAC8 4068/4885
US-20140296209-A1 COMPOUNDS AND METHODS FOR TREATMENT OF HYPERTENSION ADRB2, ADRA2B, ADRB1 GSK3B 832/4885BAZ2B 573/4885HDAC8 2225/4885
US-20140155384-A1 COMPOUNDS AND METHODS OF TREATING DIABETES ADRB2, ADRA2C, ADRA2B GSK3B 893/4885BAZ2B 864/4885HDAC8 3135/4885
US-20160030446-A1 PYRIDO [4,3-B]INDOLE AND PYRIDO [3,4-B] INDOLE DERIVATIVES AND METHODS OF USE HTR4, HTR3B, HTR2C GSK3B 102/4885BAZ2B 1528/4885HDAC8 4068/4885

“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.

Send feedback