SCHEMBL1120329

SCHEMBL1120329

O=C(O)CCn1c2ccccc2c2ccncc21

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 3/20 0.73
FABP5 Q01469 3/20 0.73
FABP3 P05413 1/20 0.73
ACHE P22303 2/20 0.56
GRIN1 Q05586 1/20 0.56
GRIN2A Q12879 1/20 0.56
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 4/20 0.54
MAOA P21397 4/20 0.54
MAOB P27338 4/20 0.54
HDAC6 Q9UBN7 1/20 0.51
TBXAS1 P24557 1/20 0.51
APEX1 P27695 1/20 0.50
MAPT P10636 1/20 0.50
PPARG P37231 1/20 0.49
PPARA Q07869 1/20 0.49

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
SCHEMBL3318737 0.91 FABP4 (0.73) FABP4FABP5FABP3ACHEGRIN1
SCHEMBL150033 0.86 FABP4 (1.00) FABP4FABP5FABP3ALDH1A1KDM4E
SCHEMBL30549325 0.86 FABP4 (1.00) FABP4FABP5FABP3ALDH1A1KDM4E
SCHEMBL1120319 0.85 KDM4E (0.72) FABP4FABP5FABP3ACHEKDM4E
SCHEMBL17517483 0.84 MAOA (0.67) FABP4FABP5FABP3ACHEGRIN1
SCHEMBL27763456 0.84 FABP4 (0.96) FABP4FABP5FABP3ALDH1A1KDM4E
SCHEMBL13301256 0.83 ACHE (0.52) FABP4FABP5FABP3ACHEGRIN1
SCHEMBL1120333 0.81 MAOA (0.59) FABP4FABP5FABP3ACHEGRIN1
SCHEMBL17502355 0.81 MAOA (0.78) FABP4FABP5ACHEGRIN1GRIN2A
SCHEMBL12464615 0.81 MAOA (0.63) FABP4FABP5FABP3ACHEGRIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469641-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-10-18 US disclosed
US-9260429-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2016-02-16 US disclosed
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-25 US disclosed
US-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-07-18 US disclosed
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-05-23 US disclosed
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2013-03-28 US disclosed
US-8338447-B2 Pyrido[3,4-B]indoles and methods of use MEDIVATION TECHNOLOGIES, INC. (US) 2012-12-25 US disclosed
EP-2280968-A2 PYRIDO [3, 4-B]INDOLES AND METHODS OF USE Medivation Technologies, Inc. (US) 2011-02-09 EP disclosed
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. 2009-10-29 US disclosed
WO-2009120717-A2 PYRIDO [3, 4-B] INDOLES AND METHODS OF USE MEDIVATION TECHNOLOGIES, INC. (US) 2009-10-01 WO disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP 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-20130184306-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FABP4 4612/4885FABP5 3298/4885FABP3 4040/4885
US-20130079352-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FABP4 4612/4885FABP5 3298/4885FABP3 4040/4885
US-20090270412-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FABP4 4612/4885FABP5 3298/4885FABP3 4040/4885
US-20130190323-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR4, HTR2C FABP4 4612/4885FABP5 3298/4885FABP3 4040/4885
US-20130131077-A1 PYRIDO[3,4-B]INDOLES AND METHODS OF USE HTR3B, HTR2C, HTR4 FABP4 4667/4885FABP5 3395/4885FABP3 3967/4885

“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.