SCHEMBL2831990

SCHEMBL2831990

CC(=O)c1ccc2ccccc2c1N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A1 P04798 1/20 0.55
CYP1B1 Q16678 1/20 0.55
NCEH1 Q6PIU2 1/20 0.50
MAPT P10636 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HPGD P15428 2/20 0.49
WDR5 P61964 1/20 0.48
MAOB P27338 1/20 0.47
LDHA P00338 1/20 0.47
HSD17B10 Q99714 3/20 0.45
TP53 P04637 1/20 0.45
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NR4A1 P22736 1/20 0.42
NR4A2 P43354 1/20 0.42
NR4A3 Q92570 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.42
POLB P06746 2/20 0.42

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
SCHEMBL9749671 0.85 ALDH1A1 (0.44) CYP1A1CYP1B1NCEH1MAPTALDH1A1
SCHEMBL8097610 0.82 CYP1A1 (0.57) CYP1A1CYP1B1NCEH1MAPTALDH1A1
SCHEMBL689752 0.82 WDR5 (0.66) CYP1A1CYP1B1NCEH1MAPTALDH1A1
SCHEMBL30791069 0.82 WDR5 (0.66) CYP1A1CYP1B1NCEH1MAPTALDH1A1
SCHEMBL13905710 0.81 CYP1A1 (0.55) CYP1A1CYP1B1NCEH1MAPTALDH1A1
SCHEMBL8681263 0.81 CYP1A1 (0.55) CYP1A1CYP1B1NCEH1MAPTALDH1A1
SCHEMBL2055410 0.80 NCEH1 (0.58) CYP1A1CYP1B1NCEH1WDR5LDHA
SCHEMBL1287839 0.80 NCEH1 (0.54) CYP1A1CYP1B1NCEH1MAPTALDH1A1
SCHEMBL21901499 0.80 CYP1A1 (0.51) CYP1A1CYP1B1NCEH1MAPTALDH1A1
Hydrochloric Acid SCHEMBL8803047 0.79 NCEH1 (0.53) CYP1A1CYP1B1NCEH1MAPTALDH1A1

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101704758-B Method for preparing 2-naphthylamine UNIV BEIJING NORMAL 2013-06-05 CN claimed
CN-101704758-A Method for preparing 2-naphthylamine UNIV BEIJING NORMAL 2010-05-12 CN claimed
CN-101704758-B Method for preparing 2-naphthylamine UNIV BEIJING NORMAL 2013-06-05 CN disclosed
CN-101704758-B Method for preparing 2-naphthylamine UNIV BEIJING NORMAL 2013-06-05 CN disclosed
US-7781441-B2 (3,4-dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. (US) 2010-08-24 US disclosed
US-7754273-B2 Method of printing a time-temperature indicator based on azo coupling reactions onto a susbtrate CIBA SPECIALTY CHEMICALS CORP. (US) 2010-07-13 US disclosed
CN-101704758-A Method for preparing 2-naphthylamine UNIV BEIJING NORMAL 2010-05-12 CN disclosed
CN-101704758-A Method for preparing 2-naphthylamine UNIV BEIJING NORMAL 2010-05-12 CN disclosed
EP-1888538-B1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR HOFFMANN LA ROCHE (CH) 2009-11-18 EP disclosed
EP-1888538-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. Hoffmann-Roche AG (CH) 2008-02-20 EP disclosed
US-20070218206-A1 Method of Printing a Time-Temperature Indicator Based on Azo Coupling Reactions onto a Susbtrate CIBA SPECIALTY CHEMICALS CORP. 2007-09-20 US disclosed
US-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HOFFMANN-LA ROCHE INC. 2006-11-09 US disclosed
WO-2006117305-A1 (3,4-DIHYDRO-QUINAZOLIN-2-YL)-(2-ARYLOXY-ETHYL)-AMINES HAVING AN ACTIVITY ON THE 5-HT RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2006-11-09 WO disclosed
US-5171880-A Sulfur or oxidized sulfur in a base ALLIED-SIGNAL INC. (US) 1992-12-15 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-20060252779-A1 (3,4-Dihydro-quinazolin-2-yl)-(2-aryloxy-ethyl)-amine HTR5A, NPY5R, HTR3A CYP1A1 456/4885CYP1B1 582/4885NCEH1 2241/4885

“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.