SCHEMBL700426

SCHEMBL700426

O=[N+]([O-])c1ccccc1C(CN=C=S)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.40
CNR1 P21554 1/20 0.38
CYP1A2 P05177 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
KCNH2 Q12809 1/20 0.36
GAA P10253 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 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
SCHEMBL3821198 0.80 CNR1 (0.42) RECQLCNR1CYP1A2TSHRALDH1A1
Hydrochloric Acid SCHEMBL27735890 0.79 CNR1 (0.41) RECQLCNR1CYP1A2TSHRALDH1A1
Acetic Acid SCHEMBL701793 0.75 CYP1A2 (0.43) RECQLCNR1CYP1A2TSHRALDH1A1
Acetic Acid SCHEMBL701791 0.75 CYP1A2 (0.43) RECQLCNR1CYP1A2TSHRALDH1A1
SCHEMBL10569743 0.68 CYP1A2 (0.50) RECQLCYP1A2TSHRALDH1A1MAPT
SCHEMBL28557758 0.66 CYP1A2 (0.51) RECQLCYP1A2TSHRALDH1A1LMNA
SCHEMBL10775446 0.65 TDP1 (0.44) RECQLTSHRALDH1A1MAPTMAPK1
SCHEMBL10924597 0.65 NPC1 (0.51) CNR1CYP1A2TSHRALDH1A1MAPT
SCHEMBL1247579 0.65 MIF (0.50) ALDH1A1CYP3A4
SCHEMBL9949064 0.65 CYP1A2 (0.51) CYP1A2TSHRALDH1A1MAPK1CYP3A4

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 RECQL 38/4885CNR1 343/4885CYP1A2 200/4885

“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.