SCHEMBL3322288

SCHEMBL3322288

O=C(NCCBr)OCC(Cl)(Cl)Cl

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ACHE P22303 8/20 0.34
FAAH O00519 1/20 0.32

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
SCHEMBL11529195 0.82 CHRNB2 (0.42) ALDH1A1POLBACHE
SCHEMBL28411685 0.82 ALDH1A1 (0.37) ALDH1A1POLBACHE
SCHEMBL10954786 0.82 ALDH1A1 (0.37) ALDH1A1POLBACHEFAAH
SCHEMBL10402137 0.80 ALDH1A1 (0.36) ALDH1A1POLBACHE
SCHEMBL10402139 0.80 ALDH1A1 (0.36) ALDH1A1POLBACHE
SCHEMBL8373910 0.80 ACHE (0.47) ALDH1A1ACHE
SCHEMBL9262629 0.78 HTT (0.39) ALDH1A1POLBACHE
SCHEMBL31030162 0.77 ACHE (0.36) ALDH1A1POLBACHE
SCHEMBL13719292 0.77 ALDH1A1 (0.39) ALDH1A1POLB
SCHEMBL15756876 0.76 TDP1 (0.54) ALDH1A1ACHE

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-02-23 US disclosed
US-9498538-B2 Translocation of non-natural chemical entities through anthrax protective antigen pore MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-11-22 US disclosed
US-9115137-B2 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-25 US disclosed
US-9115137-B2 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-25 US disclosed
US-9115137-B2 2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES, INC. (US) 2015-08-25 US disclosed
US-20150165062-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-06-18 US disclosed
EP-2244708-B1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES INC (US) 2015-01-14 EP disclosed
EP-2244708-B1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES INC (US) 2015-01-14 EP disclosed
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
EP-2244708-A1 NEW 2,3,4,5-TEtRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF Medivation Technologies, Inc. (US) 2010-11-03 EP disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. 2010-01-28 US disclosed
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 WO disclosed
WO-2009094668-A1 NEW 2,3,4,5-TERAHYDRO-1H-PYRIDO[ 4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF MEDIVATION TECHNOLOGIES, INC. (US) 2009-07-30 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 (5 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-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 ALDH1A1 1687/4885POLB 4658/4885ACHE 195/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 ALDH1A1 1456/4885POLB 4729/4885ACHE 195/4885
US-20150165062-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE ANTXR2, SLC47A2, SLC47A1 ALDH1A1 4454/4885POLB 4786/4885ACHE 4629/4885
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 ALDH1A1 1456/4885POLB 4729/4885ACHE 195/4885
US-20170049906-A1 TRANSLOCATION OF NON-NATURAL CHEMICAL ENTITIES THROUGH ANTHRAX PROTECTIVE ANTIGEN PORE ANTXR2, SLC47A2, SLC47A1 ALDH1A1 4454/4885POLB 4786/4885ACHE 4629/4885

“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.