SCHEMBL3166446

SCHEMBL3166446

S=C=Nc1cccc2cc3ccccc3cc12

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.69
CYP1A2 P05177 5/20 0.69
HSD17B10 Q99714 5/20 0.69
HPGD P15428 4/20 0.69
MAOA P21397 2/20 0.69
ABCB11 O95342 1/20 0.69
NR3C1 P04150 1/20 0.69
CYP3A4 P08684 1/20 0.69
ADRA2A P08913 1/20 0.69
ADORA3 P0DMS8 1/20 0.69
ALOX15 P16050 1/20 0.69
ADRA2C P18825 1/20 0.69
DRD1 P21728 1/20 0.69
SLC6A4 P31645 1/20 0.69
HTR2B P41595 1/20 0.69
CCR2 P41597 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
SIGMAR1 Q99720 1/20 0.40
MIF P14174 1/20 0.39
MAPT P10636 3/20 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
1-Naphthylisothiocyanate SCHEMBL29354904 0.82 ALDH1A1 (1.00) ALDH1A1CYP1A2HSD17B10HPGDMAOA
1-Naphthylisothiocyanate SCHEMBL419795 0.82 ALDH1A1 (1.00) ALDH1A1CYP1A2HSD17B10HPGDMAOA
Acridine SCHEMBL27860146 0.81 ALDH1A1 (0.59) ALDH1A1CYP1A2HSD17B10HPGDMAOA
SCHEMBL3714186 0.81 CYP3A4 (0.48) ALDH1A1CYP1A2HSD17B10HPGDMAOA
SCHEMBL3901680 0.80 ALDH1A1 (0.49) ALDH1A1CYP1A2HSD17B10HPGDMAOA
1-Naphthylisothiocyanate SCHEMBL27570428 0.80 ALDH1A1 (0.96) ALDH1A1CYP1A2HSD17B10HPGDMAOA
1-Naphthylisothiocyanate SCHEMBL27487887 0.80 ALDH1A1 (0.96) ALDH1A1CYP1A2HSD17B10HPGDMAOA
SCHEMBL3904604 0.79 ALDH1A1 (0.55) ALDH1A1CYP1A2HSD17B10HPGDMAOA
SCHEMBL37656 0.79 ALDH1A1 (0.61) ALDH1A1CYP1A2HSD17B10HPGDMAOA
SCHEMBL13138480 0.78 ALDH1A1 (0.42) ALDH1A1CYP1A2HSD17B10HPGDMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1590479-B1 NUCLEIC ACID AMPLIFICATION GE HEALTHCARE BIO SCIENCES (US) 2010-11-24 EP disclosed
US-20100212548-A1 Immersion Liquid And Method For Preparing An Organic Compound For An Immersion Liquid CARL ZEISS AG (DE) 2010-08-26 US disclosed
US-20100212548-A1 Immersion Liquid And Method For Preparing An Organic Compound For An Immersion Liquid CARL ZEISS AG (DE) 2010-08-26 US disclosed
EP-1421213-B1 LABELED NUCLEOSIDE POLYPHOSPHATES GE HEALTHCARE BIO SCIENCES (US) 2010-02-17 EP disclosed
EP-1592779-A4 TERMINAL-PHOSPHATE-LABELED NUCLEOTIDES WITH NEW LINKERS GE HEALTHCARE BIO SCIENCES (US) 2007-12-12 EP disclosed
US-7125671-B2 Nucleic acid amplification with terminal-phosphate labeled nucleotides GE HEALTHCARE BIO-SCIENCES CORP. (US) 2006-10-24 US disclosed
US-7041812-B2 Labeled nucleoside polyphosphates AMERSHAM BIOSCIENCES CORP (US) 2006-05-09 US disclosed
EP-1590479-A4 NUCLEIC ACID AMPLIFICATION AMERSHAM BIOSCIENCES CORP (US) 2006-04-05 EP disclosed
EP-1592779-A2 TERMINAL-PHOSPHATE-LABELED NUCLEOTIDES WITH NEW LINKERS Amersham Biosciences Corp. (US) 2005-11-09 EP disclosed
EP-1590479-A1 NUCLEIC ACID AMPLIFICATION Amersham Biosciences Corp. (US) 2005-11-02 EP disclosed
WO-2004072238-A2 TERMINAL-PHOSPHATE-LABELED NUCLEOTIDES WITH NEW LINKERS AMERSHAM BIOSCIENCES CORP (US) 2004-08-26 WO disclosed
WO-2004072304-A1 NUCLEIC ACID AMPLIFICATION AMERSHAM BIOSCIENCES CORP (US) 2004-08-26 WO disclosed
US-4966856-A QUANTITATIVE ANALYSIS OF FLUID SAMPLES KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1990-10-30 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-20100212548-A1 Immersion Liquid And Method For Preparing An Organic Compound For An Immersion Liquid F12, NR1H3, FLI1 ALDH1A1 2122/4885CYP1A2 545/4885HSD17B10 788/4885

“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.