SCHEMBL13832155

SCHEMBL13832155

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1C(C)=O

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.61
NPSR1 Q6W5P4 2/20 0.58
HTT P42858 1/20 0.57
GAA P10253 3/20 0.56
USP2 O75604 2/20 0.56
TP53 P04637 1/20 0.56
ALDH1A1 P00352 4/20 0.56
KMT2A Q03164 2/20 0.56
LMNA P02545 2/20 0.56
MEN1 O00255 1/20 0.56
POLB P06746 1/20 0.56
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL13831168 0.89 NPSR1 (0.56) TSHRNPSR1HTTGAAUSP2
SCHEMBL13831727 0.89 NPSR1 (0.56) TSHRNPSR1HTTGAAUSP2
SCHEMBL13831546 0.86 TSHR (0.62) TSHRNPSR1HTTGAAUSP2
SCHEMBL4206964 0.86 TSHR (0.62) TSHRNPSR1HTTGAAUSP2
SCHEMBL13831758 0.86 NPSR1 (0.62) TSHRNPSR1HTTGAAUSP2
SCHEMBL13831528 0.84 TP53 (0.74) TSHRNPSR1HTTGAAUSP2
SCHEMBL13831520 0.83 TSHR (0.59) TSHRNPSR1HTTGAAUSP2
SCHEMBL13831529 0.83 TSHR (0.61) TSHRNPSR1HTTGAAUSP2
SCHEMBL13832118 0.83 LMNA (0.67) TSHRNPSR1HTTGAAUSP2
SCHEMBL14475632 0.82 LMNA (0.72) TSHRNPSR1HTTGAAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20230136150-A1 Compositions for Inhibition of Insect Sensing UNIV VANDERBILT (US) 2023-05-04 US disclosed
US-20210219551-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2021-07-22 US disclosed
US-10813355-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2020-10-27 US disclosed
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 EP disclosed
US-20190075798-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2019-03-14 US disclosed
US-10188105-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2019-01-29 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 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 (7 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-20230136150-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 2971/4885NPSR1 41/4885HTT 3745/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TSHR 3088/4885NPSR1 47/4885HTT 3893/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 TSHR 2891/4885NPSR1 44/4885HTT 3740/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 2971/4885NPSR1 41/4885HTT 3745/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TSHR 2976/4885NPSR1 47/4885HTT 3893/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 2976/4885NPSR1 47/4885HTT 3893/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 3088/4885NPSR1 47/4885HTT 3893/4885

“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.