SCHEMBL703670

SCHEMBL703670

O=[N+]([O-])c1ccc(C(CN=C=S)c2cccc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 8/20 0.41
MEN1 O00255 7/20 0.41
POLB P06746 3/20 0.41
CNR1 P21554 2/20 0.37
LMNA P02545 5/20 0.37
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CNR2 P34972 1/20 0.37
HCK P08631 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
MCL1 Q07820 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
ENPP2 Q13822 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 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
SCHEMBL700426 0.81 RECQL (0.40) ALDH1A1TDP1KMT2AMEN1CNR1
SCHEMBL701757 0.79 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL15504707 0.73 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL15504651 0.73 ALDH1A1 (0.61) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL701598 0.71 ALDH1A1 (0.50) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL7978681 0.70 MEN1 (0.48) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL1247579 0.70 MIF (0.50) ALDH1A1
SCHEMBL28402688 0.68 MEN1 (0.48) ALDH1A1TDP1KMT2AMEN1POLB
SCHEMBL15617660 0.67 CYP2C19 (0.51) ALDH1A1TDP1KMT2AMEN1CNR1
SCHEMBL15617595 0.66 CNR1 (0.56) ALDH1A1TDP1KMT2AMEN1POLB

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 6 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
CN-101405269-A Substituted 1-amino-4-phenyldihydroisoquinolines, method for the production thereof, use thereof as medicaments and medicaments containing the same SANOFI AVENTIS (FR) 2009-04-08 CN 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 181/4885TDP1 2355/4885KMT2A 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.