SCHEMBL4786996

SCHEMBL4786996

COc1ccc(CNC(=O)C=Cc2ccc3c(c2)c(CCN(C)C)cn3Cc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ LMNA P02545 2/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ CYP3A4 P08684 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ HTR1A P08908 1/20 0.62
▸ HTR1D P28221 1/20 0.62
▸ HTR1B P28222 1/20 0.62
▸ PMP22 Q01453 1/20 0.62
▸ NPSR1 Q6W5P4 1/20 0.62
▸ HDAC6 Q9UBN7 4/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ MTNR1A P48039 1/20 0.54
▸ MTNR1B P49286 1/20 0.54
▸ HDAC1 Q13547 3/20 0.52
▸ HDAC2 Q92769 2/20 0.52
▸ PLA2G2A P14555 2/20 0.51

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
SCHEMBL4786990 1.00 HTR6 (0.62) HTR6ALDH1A1LMNAKDM4ETP53
SCHEMBL14045634 0.94 CYP3A4 (0.62) HTR6ALDH1A1LMNAKDM4ETP53
SCHEMBL4788896 0.87 CYP3A4 (0.68) HTR6ALDH1A1LMNAKDM4ETP53
SCHEMBL4788892 0.87 CYP3A4 (0.68) HTR6ALDH1A1LMNAKDM4ETP53
SCHEMBL2975416 0.78 HTR6 (1.00) HTR6HTR1AHTR1DHTR1BMTNR1A
SCHEMBL30058389 0.77 HTR1D (1.00) HTR6ALDH1A1LMNAKDM4ETP53
SCHEMBL4784832 0.77 HTR1D (1.00) HTR6ALDH1A1LMNAKDM4ETP53
SCHEMBL4784837 0.77 HTR1D (1.00) HTR6ALDH1A1LMNAKDM4ETP53
SCHEMBL28891808 0.74 THRB (0.73) ALDH1A1LMNACYP1A2CYP3A4HDAC6
SCHEMBL4785841 0.72 CYP3A4 (0.90) HTR6ALDH1A1LMNAKDM4ETP53

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 6 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
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 HTR6 1625/4885ALDH1A1 349/4885LMNA 2711/4885

“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.

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