SCHEMBL4787399

SCHEMBL4787399

CN(C)CCc1c[nH]c2ccc(/C=C/C(=O)NCc3ccc([N+](=O)[O-])cc3)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.75
HTR1A P08908 2/20 0.75
HTR1D P28221 2/20 0.75
HTR1B P28222 2/20 0.75
KDM4E B2RXH2 1/20 0.75
TP53 P04637 1/20 0.75
CYP1A2 P05177 1/20 0.75
CYP3A4 P08684 1/20 0.75
TSHR P16473 1/20 0.75
LMNA P02545 1/20 0.75
PMP22 Q01453 1/20 0.75
NPSR1 Q6W5P4 1/20 0.75
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NQO2 P16083 1/20 0.48
HTR2A P28223 1/20 0.48
MAOB P27338 1/20 0.47
NAMPT P43490 1/20 0.47
HDAC1 Q13547 7/20 0.47
HDAC3 O15379 5/20 0.47

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
SCHEMBL4787406 1.00 ALDH1A1 (0.75) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL18622645 0.88 HTR1A (0.81) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL4784967 0.87 HTR1A (0.80) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL4788190 0.87 HTR1A (0.80) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL4784970 0.87 HTR1A (0.80) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL30058389 0.86 HTR1D (1.00) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL4784832 0.86 HTR1D (1.00) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL4784837 0.86 HTR1D (1.00) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL10531771 0.83 HTR1D (0.77) ALDH1A1HTR1AHTR1DHTR1BKDM4E
SCHEMBL10531774 0.82 HTR1B (0.72) ALDH1A1HTR1AHTR1DHTR1BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008118445-A9 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORP (US) 2008-12-04 WO claimed
US-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION 2008-10-09 US claimed
WO-2008118445-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION (US) 2008-10-02 WO claimed
WO-2008118445-A9 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORP (US) 2008-12-04 WO disclosed
US-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION 2008-10-09 US disclosed
US-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION 2008-10-09 US disclosed
WO-2008118445-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION (US) 2008-10-02 WO disclosed
US-4870096-A MIGRAINE GLAXO GROUP LIMITED (GB) 1989-09-26 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-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS GLO1, ESD, GLB1 ALDH1A1 349/4885HTR1A 2628/4885HTR1D 3214/4885

“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.