SCHEMBL10241557

SCHEMBL10241557

CCNCCCc1ccccn1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.58
ALDH1A1 P00352 2/20 0.56
LMNA P02545 2/20 0.56
TAAR1 Q96RJ0 1/20 0.56
ALOX15 P16050 1/20 0.56
CHRM2 P08172 1/20 0.54
CYP1A2 P05177 4/20 0.54
CYP2C19 P33261 2/20 0.54
HRH1 P35367 2/20 0.51
APP P05067 1/20 0.51
TDP1 Q9NUW8 1/20 0.49
SCN8A Q9UQD0 1/20 0.47
CYP2D6 P10635 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HRH4 Q9H3N8 1/20 0.44

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
SCHEMBL746674 0.89 CYP1A2 (0.67) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL4067485 0.81 HRH3 (0.79) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL22851320 0.81 HRH3 (0.56) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL5707525 0.81 CYP1A2 (0.61) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL22421062 0.80 CHRM2 (0.53) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL1677571 0.79 CHRM2 (0.60) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL64052 0.79 HRH1 (0.60) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL29582320 0.79 HRH1 (0.60) HRH3ALDH1A1LMNATAAR1ALOX15
SCHEMBL29583126 0.78
SCHEMBL10527 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-8119654-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2012-02-21 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-07-15 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2010-05-13 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-7652028-B2 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2010-01-26 US disclosed
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 US disclosed
WO-2008106619-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2008-09-04 WO disclosed
WO-2007025009-A2 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 WO disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 US disclosed
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION (US) 2007-03-01 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 (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-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS HRH3 3631/4885ALDH1A1 137/4885LMNA 407/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS HRH3 3631/4885ALDH1A1 137/4885LMNA 407/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS HRH3 3631/4885ALDH1A1 137/4885LMNA 407/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS HRH3 3631/4885ALDH1A1 137/4885LMNA 407/4885

“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.