SCHEMBL4787970

SCHEMBL4787970

COc1ccc(CNC(=O)/C=C/c2ccc3[nH]cc(CN(C)C)c3c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.83
KDM4E B2RXH2 1/20 0.83
TP53 P04637 1/20 0.83
CYP1A2 P05177 1/20 0.83
TSHR P16473 1/20 0.83
ALDH1A1 P00352 1/20 0.83
LMNA P02545 1/20 0.83
HTR1A P08908 1/20 0.83
HTR1D P28221 1/20 0.83
HTR1B P28222 1/20 0.83
PMP22 Q01453 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
HDAC3 O15379 6/20 0.58
HDAC6 Q9UBN7 5/20 0.58
HDAC1 Q13547 2/20 0.58
HDAC2 Q92769 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC4 P56524 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC10 Q969S8 1/20 0.58

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
SCHEMBL4787979 1.00 CYP3A4 (0.83) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL30058389 0.91 HTR1D (1.00) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL4784837 0.91 HTR1D (1.00) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL4784832 0.91 HTR1D (1.00) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL4785846 0.89 CYP3A4 (0.90) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL4785841 0.89 CYP3A4 (0.90) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL4787574 0.83 CYP1A2 (0.85) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL4787569 0.83 CYP1A2 (0.85) CYP3A4KDM4ETP53CYP1A2TSHR
SCHEMBL14025170 0.82 CYP3A4 (0.72) CYP3A4KDM4ETP53CYP1A2TSHR
Iodide SCHEMBL4787597 0.81 CYP3A4 (0.71) CYP3A4KDM4ETP53CYP1A2TSHR

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-20080248511-A1 METHODS TO QUENCH LIGHT FROM OPTICAL REACTIONS PROMEGA CORPORATION 2008-10-09 US 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

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 CYP3A4 301/4885KDM4E 1027/4885TP53 2457/4885

“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.