SCHEMBL3316192

SCHEMBL3316192

NC(=O)CCCn1c2ccccc2c2ccccc21

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.83
FABP4 P15090 3/20 0.74
FABP5 Q01469 3/20 0.74
FABP3 P05413 1/20 0.62
HDAC6 Q9UBN7 4/20 0.61
HDAC1 Q13547 3/20 0.61
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
MAPT P10636 2/20 0.49
POLB P06746 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 2/20 0.48
LMNA P02545 2/20 0.48
MAOA P21397 3/20 0.47
MAOB P27338 3/20 0.47
PGR P06401 1/20 0.47
RORA P35398 1/20 0.47
RORC P51449 1/20 0.47
RORB Q92753 1/20 0.47

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
SCHEMBL20961263 0.95 KDM4E (0.80) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL20961100 0.93 KDM4E (0.77) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL3322057 0.91 KDM4E (1.00) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL4314440 0.85 FABP4 (1.00) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL30573159 0.85 FABP4 (1.00) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL11606635 0.84 ALDH1A1 (0.68) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL11608105 0.80 KDM4E (0.55) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL12951764 0.80 FABP4 (1.00) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL1352112 0.80 FABP4 (0.71) KDM4EFABP4FABP5FABP3HDAC6
SCHEMBL4552481 0.80 FABP4 (0.68) FABP4FABP5FABP3HDAC6HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
CN-101983059-B New 2,3,4,5-terahydro-1h-pyrido[ 4,3-b] indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES INC 2014-11-05 CN 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
CN-101983059-A New 2,3,4,5-terahydro-1h-pyrido[ 4,3-b] indole compounds and methods of use thereof MEDIVATION TECHNOLOGIES INC 2011-03-02 CN 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
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 (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-20130190347-A1 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 KDM4E 1661/4885FABP4 4531/4885FABP5 2444/4885
US-20100022580-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO[4,3-B]INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 KDM4E 1646/4885FABP4 4597/4885FABP5 2538/4885
US-20130190348-A1 NEW 2,3,4,5-TETRAHYDRO-1H-PYRIDO [4,3-B] INDOLE COMPOUNDS AND METHODS OF USE THEREOF HTR2C, HTR3B, HTR4 KDM4E 1646/4885FABP4 4597/4885FABP5 2538/4885

“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.