SCHEMBL4146683

SCHEMBL4146683

NCc1c(Cl)cccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 3/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
GPR35 Q9HC97 1/20 0.44
TSHR P16473 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL5550682 0.86 TDP1 (0.54) ALDH1A1HPGDTDP1MAPTGPR35
SCHEMBL10756135 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL29975243 0.83 ALDH1A1 (0.53) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL3631215 0.83 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL844236 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL6889978 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL4715285 0.81 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL5681342 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL31148323 0.81 ALDH1A1 (0.51) ALDH1A1KDM4ELMNAHPGDTDP1
SCHEMBL7784647 0.80 ALDH1A1 (0.54) ALDH1A1KDM4ELMNAHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010134636-A1 AMIDE COMPOUND AND USE THEREOF FOR CONTROL OF PLANT DISEASES 住友化学株式会社 (JP) 2010-11-25 WO disclosed
US-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators ASTRAZENECA AB (SE) 2009-07-30 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 (2 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-20090192169-A1 Bicyclic Benzimidazole Compounds and Their Use as Metabotropic Glutamate Receptor Potentiators GRM1, GRIN1, GRM2 ALDH1A1 1006/4885KDM4E 3143/4885LMNA 3907/4885
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD ALDH1A1 271/4885KDM4E 1697/4885LMNA 942/4885

“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.