SCHEMBL19631276

SCHEMBL19631276

O=C(Nc1cc(F)c(F)c(OC2CCC(NS(=O)(=O)c3cccc(C(=O)Nc4cc(F)c(F)c(F)c4)c3)CC2)c1)c1cccc(S(=O)(=O)NC2CCC(O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 2/20 0.47
LMNA P02545 7/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 1/20 0.41
TP53 P04637 11/20 0.41
MAPT P10636 10/20 0.41
POLB P06746 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MAP2K4 P45985 1/20 0.38

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
SCHEMBL15076775 0.91 LMNA (0.55) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15076573 0.87 HTR2B (0.53) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15076821 0.84 HTR2B (0.49) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15276981 0.83 HTR2B (0.51) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15076774 0.82 HTR2B (0.62) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15076791 0.82 LMNA (0.62) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15076776 0.78 HTR2B (0.58) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15076809 0.78 HTR2B (0.58) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL15612908 0.78 HTR2B (0.75) HTR2BLMNAALDH1A1KMT2ATP53
SCHEMBL21623153 0.76 MAPT (0.68) LMNATP53MAPTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10196376-B2 Hepatitis B antiviral agents NOVIRA THERAPEUTICS, INC. (US) 2019-02-05 US disclosed
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS NOVIRA THERAPEUTICS, INC 2017-11-23 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 (2 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-10196376-B2 Hepatitis B antiviral agents HAVCR2, EIF2AK2, IRF3 HTR2B 4016/4885LMNA 3521/4885ALDH1A1 1564/4885
US-20170334882-A1 HEPATITIS B ANTIVIRAL AGENTS HAVCR2, EIF2AK2, IRF3 HTR2B 4016/4885LMNA 3521/4885ALDH1A1 1564/4885

“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.