SCHEMBL700930

SCHEMBL700930

O=[N+]([O-])c1ccc(C2CN=C(N3CCCC3)c3ccc(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 5/20 0.40
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
TERT O14746 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
RECQL P46063 1/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35

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
SCHEMBL701484 0.84 MEN1 (0.38) ALDH1A1MAPK1LMNAPOLBMAPT
SCHEMBL700718 0.82 ALDH1A1 (0.37) ALDH1A1LMNAPOLBL3MBTL1MAPT
Hydrochloric Acid SCHEMBL702518 0.81 ALDH1A1 (0.39) ALDH1A1LMNAPOLBL3MBTL1MAPT
SCHEMBL702297 0.81 MAPT (0.36) ALDH1A1MAPK1LMNAPOLBMAPT
SCHEMBL702690 0.80 HTR2A (0.38) MAPK1POLBMAPTTERTMEN1
SCHEMBL701530 0.80 TERT (0.39) ALDH1A1MAPK1LMNAPOLBMAPT
SCHEMBL700407 0.79 TERT (0.37) MAPK1POLBMAPTTERTMEN1
Hydrochloric Acid SCHEMBL702047 0.79 TERT (0.39) ALDH1A1MAPK1LMNAPOLBMAPT
Iodide SCHEMBL702558 0.78 TERT (0.36) MAPK1POLBMAPTTERTMEN1
SCHEMBL701274 0.67 MEN1 (0.39) ALDH1A1MAPK1LMNAPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124621-B2 Substituted 1-amino-4-phenyl-dihydroisoquinolines, methods for the production thereof, use thereof as a medicament, and medicaments containing them SANOFI-AVENTIS (FR) 2012-02-28 US disclosed
EP-1999113-B1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI AVENTIS (FR) 2009-08-19 EP disclosed
US-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (FR) 2009-05-07 US disclosed
EP-1999113-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM Sanofi-Aventis (FR) 2008-12-10 EP disclosed
WO-2007107245-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM SANOFI-AVENTIS (FR) 2007-09-27 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 (1 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-20090118327-A1 SUBSTITUTED 1-AMINO-4-PHENYL-DIHYDROISOQUINOLINES, METHODS FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT, AND MEDICAMENTS CONTAINING THEM NDUFAB1, ABCB11, SLC10A1 ALDH1A1 181/4885MAPK1 4198/4885LMNA 1979/4885

“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.