SCHEMBL701792

SCHEMBL701792

CC(=O)OC(N)C(c1cccc(Cl)c1)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 2/20 0.40
CRHR1 P34998 2/20 0.39
MAPT P10636 6/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPK1 P28482 1/20 0.37
GAA P10253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
USP7 Q93009 1/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36

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
Acetic Acid SCHEMBL701791 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2CRHR1MAPTLMNA
Acetic Acid SCHEMBL701793 0.76 CYP1A2 (0.43) ALDH1A1CYP1A2CRHR1MAPTLMNA
SCHEMBL6895354 0.72 ALDH1A1 (0.52) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL3821198 0.71 CNR1 (0.42) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL12050502 0.71 ALDH1A1 (0.58) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL27918543 0.71 ALDH1A1 (0.58) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27735890 0.70 CNR1 (0.41) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL5583400 0.70 ALDH1A1 (0.56) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2
SCHEMBL10775446 0.69 TDP1 (0.44) ALDH1A1MAPTKDM4EMAPK1GAA
SCHEMBL5604453 0.69 ALDH1A1 (0.55) ALDH1A1CYP1A2MAPTLMNASMN1; SMN2

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 2 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
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

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 181/4885CYP1A2 200/4885CRHR1 2106/4885

“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.