SCHEMBL701530

SCHEMBL701530

CNC1=NCC(c2ccc([N+](=O)[O-])cc2)c2cc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
ALDH1A1 P00352 2/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
NPBWR1 P48145 2/20 0.35
MAPT P10636 5/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 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
Hydrochloric Acid SCHEMBL702047 0.99 TERT (0.39) TERTSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL702690 0.84 HTR2A (0.38) TERTSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL702297 0.83 MAPT (0.36) TERTMEN1KMT2APIK3CAPIK3CB
SCHEMBL701484 0.83 MEN1 (0.38) TERTMEN1KMT2APIK3CAPIK3CB
SCHEMBL4658992 0.83 HTR2A (0.46) MEN1KMT2AALDH1A1RECQLHSD17B10
SCHEMBL700407 0.83 TERT (0.37) TERTSLC6A2SLC6A4SLC6A3MEN1
Iodide SCHEMBL702558 0.82 TERT (0.36) TERTSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL700847 0.82 CYP19A1 (0.32)
SCHEMBL701274 0.67 MEN1 (0.39) TERTSLC6A2SLC6A4SLC6A3MEN1
SCHEMBL15679174 0.65 TERT (0.39) TERTMEN1KMT2AALDH1A1HSD17B10

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 TERT 2738/4885SLC6A2 169/4885SLC6A4 302/4885

“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.