SCHEMBL10240747

SCHEMBL10240747

CC(C)NCCCC1CCCN1C

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.44
SLC2A1 P11166 1/20 0.44
ADRA2A P08913 1/20 0.36
RAD52 P43351 1/20 0.34

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
SCHEMBL12309458 0.89 ALDH1A1 (0.53) ALDH1A1CYP1A2SLC2A1ADRA2ARAD52
SCHEMBL14443020 0.89 ALDH1A1 (0.53) ALDH1A1CYP1A2SLC2A1ADRA2ARAD52
SCHEMBL14443017 0.89 ALDH1A1 (0.53) ALDH1A1CYP1A2SLC2A1ADRA2ARAD52
SCHEMBL20079226 0.84 CYP1A2 (0.55) ALDH1A1CYP1A2SLC2A1ADRA2A
SCHEMBL10289039 0.81 ALDH1A1 (0.49) ALDH1A1CYP1A2SLC2A1
SCHEMBL19376421 0.80 CYP1A2 (0.57) ALDH1A1CYP1A2ADRA2A
SCHEMBL10241565 0.79 ALDH1A1 (0.46) ALDH1A1CYP1A2SLC2A1RAD52
SCHEMBL14755652 0.78 CYP1A2 (0.47) ALDH1A1CYP1A2SLC2A1ADRA2A
SCHEMBL14443019 0.77 CYP1A2 (0.41) ALDH1A1CYP1A2
SCHEMBL14454185 0.77 CYP1A2 (0.41) ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2021-10-14 US disclosed
US-10975076-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2021-04-13 US disclosed
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-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-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof INOTEK PHARMACEUTICALS CORPORATION 2010-01-07 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 (6 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-10975076-B2 Compositions, uses and methods for making them BAX, CASP3, CASP7 ALDH1A1 1878/4885CYP1A2 651/4885SLC2A1 4395/4885
US-20070049555-A1 Indenoisoquinolinone analogs and methods of use thereof TNNI3, IDH2, GLS ALDH1A1 137/4885CYP1A2 507/4885SLC2A1 1629/4885
US-20100121049-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS ALDH1A1 137/4885CYP1A2 507/4885SLC2A1 1629/4885
US-20210317120-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, CASP7 ALDH1A1 2282/4885CYP1A2 1418/4885SLC2A1 4397/4885
US-20100004220-A1 Indenoisoquinolinone Analogs and Methods of Use Thereof TNNI3, IDH2, GLS ALDH1A1 137/4885CYP1A2 507/4885SLC2A1 1629/4885
US-20100179140-A1 INDENOISOQUINOLINONE ANALOGS AND METHODS OF USE THEREOF TNNI3, IDH2, GLS ALDH1A1 137/4885CYP1A2 507/4885SLC2A1 1629/4885

“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.