SCHEMBL13832124

SCHEMBL13832124

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cccc2c1OCCC2

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.55
▸ KMT2A Q03164 1/20 0.55
▸ TSHR P16473 6/20 0.54
▸ LMNA P02545 3/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ GAA P10253 3/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ HTT P42858 1/20 0.50

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
SCHEMBL13831650 0.90 TSHR (0.52) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL13832147 0.87 TSHR (0.55) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL13831276 0.87 NPSR1 (0.54) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL13832242 0.83 ALDH1A1 (0.67) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL13831631 0.80 TSHR (0.53) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL13831546 0.78 TSHR (0.62) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL4206964 0.78 TSHR (0.62) ALDH1A1KMT2ATSHRLMNASMN1; SMN2
SCHEMBL13831520 0.78 TSHR (0.59) ALDH1A1KMT2ATSHRLMNAGAA
SCHEMBL13832155 0.77 TSHR (0.61) ALDH1A1KMT2ATSHRLMNAGAA
SCHEMBL13832257 0.77 ALDH1A1 (0.59) ALDH1A1KMT2ATSHRLMNASMN1; SMN2

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 ALDH1A1 3579/4885KMT2A 4200/4885TSHR 2971/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885TSHR 3088/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885KMT2A 4216/4885TSHR 2891/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885KMT2A 4200/4885TSHR 2971/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885KMT2A 4264/4885TSHR 2976/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885KMT2A 4264/4885TSHR 2976/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885TSHR 3088/4885

“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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