SCHEMBL701757

SCHEMBL701757

NCC(c1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
POLB P06746 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.44
HTR2A P28223 2/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CHRNA7 P36544 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL8204965 0.83 LOXL2 (0.55) ALDH1A1TDP1MEN1KMT2ALOXL2
Hydrochloric Acid SCHEMBL10687747 0.81 LOXL2 (0.53) ALDH1A1TDP1MEN1KMT2ALOXL2
SCHEMBL3415393 0.81 HTR2A (0.64) MEN1KMT2AHTR2ATAAR1CHRNA7
SCHEMBL4371628 0.81 TAAR1 (0.56) ALDH1A1MEN1KMT2AHTR2ATAAR1
Hydrochloric Acid SCHEMBL10707847 0.80 HTR2A (0.61) MEN1KMT2AHTR2ATAAR1CHRNA7
SCHEMBL703670 0.79 ALDH1A1 (0.43) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL15504707 0.79 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL15504651 0.79 ALDH1A1 (0.61) ALDH1A1TDP1MEN1KMT2APOLB
SCHEMBL3821198 0.78 CNR1 (0.42) ALDH1A1TDP1MEN1KMT2ACNR1
Hydrochloric Acid SCHEMBL27735890 0.77 CNR1 (0.41) ALDH1A1TDP1MEN1KMT2ACNR1

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 181/4885TDP1 2355/4885MEN1 2325/4885

“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.