SCHEMBL702297

SCHEMBL702297

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPC1 O15118 2/20 0.36
PKM P14618 2/20 0.36
RAB9A P51151 2/20 0.36
TERT O14746 1/20 0.36
POLB P06746 1/20 0.36
MCL1 Q07820 1/20 0.36
NPBWR1 P48145 3/20 0.36
MAPK1 P28482 2/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3CG P48736 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR2B P41595 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
ALDH1A1 P00352 4/20 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
SCHEMBL701484 0.85 MEN1 (0.38) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL701530 0.83 TERT (0.39) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL702690 0.83 HTR2A (0.38) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL700407 0.82 TERT (0.37) MAPTMEN1KMT2ATDP1NPC1
Hydrochloric Acid SCHEMBL702047 0.82 TERT (0.39) MAPTMEN1KMT2ATDP1NPC1
Iodide SCHEMBL702558 0.81 TERT (0.36) MAPTMEN1KMT2ATDP1NPC1
SCHEMBL701616 0.80 HSD11B1 (0.40) MAPTMEN1KMT2ANPC1PKM
SCHEMBL701274 0.66 MEN1 (0.39) MAPTMEN1KMT2ATERTPOLB
SCHEMBL3814611 0.65 PDE7A (0.41) MAPTMEN1KMT2ANPC1PKM
SCHEMBL4658992 0.65 HTR2A (0.46) MAPTMEN1KMT2AMAPK1HTR2A

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 MAPT 3960/4885MEN1 2325/4885KMT2A 2047/4885

“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.