SCHEMBL5237299

SCHEMBL5237299

CNc1cc(N2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 1.00
KMT2A Q03164 1/20 0.79
ALDH1A1 P00352 2/20 0.77
CYP1A2 P05177 1/20 0.77
CYP2C9 P11712 1/20 0.77
HPGD P15428 1/20 0.77
CYP2C19 P33261 1/20 0.77
MAPK1 P28482 1/20 0.74
L3MBTL1 Q9Y468 1/20 0.74
POLB P06746 1/20 0.73
HTR6 P50406 7/20 0.70
SIRT6 Q8N6T7 6/20 0.66

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
SCHEMBL14825216 0.88 MAPT (1.00) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3614295 0.85 MAPK1 (1.00) MAPTALDH1A1MAPK1L3MBTL1HTR6
SCHEMBL13548708 0.85 MAPT (0.74) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL3620938 0.84 MAPT (0.72) MAPTKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL25318094 0.84 MAPT (0.72) MAPTKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL27997682 0.83 SIRT6 (0.75) MAPTALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL30532598 0.83 SIRT6 (0.75) MAPTALDH1A1HPGDMAPK1L3MBTL1
SCHEMBL2482400 0.83 HTR6 (1.00) MAPTKMT2AALDH1A1MAPK1L3MBTL1
SCHEMBL1845227 0.83 MAPT (0.70) MAPTKMT2AALDH1A1CYP2C9CYP2C19
SCHEMBL19350802 0.82 MAPT (0.69) MAPTKMT2AALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1718608-B1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-07-17 EP disclosed
US-8030309-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-10-04 US disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20110015203-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-20 US disclosed
US-7582770-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-01 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 US disclosed
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 EP disclosed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 US disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD MAPT 4168/4885KMT2A 3049/4885ALDH1A1 271/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 MAPT 69/4885KMT2A 2308/4885ALDH1A1 1822/4885
US-20110015203-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 MAPT 69/4885KMT2A 2308/4885ALDH1A1 1822/4885

“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.