SCHEMBL13831625

SCHEMBL13831625

CCn1c(SCC(=O)Nc2cccc3ccn(C)c23)nnc1-c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.61
▸ LMNA P02545 2/20 0.60
▸ HTT P42858 1/20 0.60
▸ ALDH1A1 P00352 6/20 0.59
▸ USP2 O75604 1/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ MAPT P10636 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ CDC25A P30304 1/20 0.54
▸ CDC25B P30305 1/20 0.54
▸ GAA P10253 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ TSHR P16473 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL13832079 0.90 MEN1 (0.64) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL15983379 0.86 ALDH1A1 (0.51) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL13831604 0.86 MAPK1 (0.65) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL13831648 0.85 MAPK1 (0.60) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL13831616 0.85 KMT2A (0.64) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL15983358 0.84 LMNA (0.50) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL13831290 0.83 NPSR1 (0.64) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL15983304 0.82 ALDH1A1 (0.61) LMNAHTTALDH1A1USP2MAPT
SCHEMBL14478853 0.82 MAPT (0.79) MAPK1LMNAHTTALDH1A1USP2
SCHEMBL15983325 0.82 POLB (0.64) MAPK1LMNAALDH1A1USP2KMT2A

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 MAPK1 1791/4885LMNA 4714/4885HTT 3745/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 MAPK1 1868/4885LMNA 4708/4885HTT 3893/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 MAPK1 1738/4885LMNA 4737/4885HTT 3740/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MAPK1 1791/4885LMNA 4714/4885HTT 3745/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 MAPK1 1761/4885LMNA 4745/4885HTT 3893/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MAPK1 1761/4885LMNA 4745/4885HTT 3893/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MAPK1 1868/4885LMNA 4708/4885HTT 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.

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