SCHEMBL13831787

SCHEMBL13831787

CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(OC)cn1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GAA P10253 2/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.41
KMT2A Q03164 2/20 0.41
TSHR P16473 2/20 0.40
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HSD17B10 Q99714 1/20 0.40
HPGD P15428 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL13832308 0.87 LMNA (0.55) NPSR1LMNAALDH1A1GAAMAPT
SCHEMBL13831759 0.86 NPSR1 (0.45) NPSR1LMNAALDH1A1L3MBTL1GAA
SCHEMBL13831761 0.85 ALDH1A1 (0.42) NPSR1LMNAALDH1A1L3MBTL1GAA
SCHEMBL13831322 0.84 NPSR1 (0.60) NPSR1LMNAALDH1A1L3MBTL1GAA
SCHEMBL13831765 0.84 NPSR1 (0.43) NPSR1LMNAALDH1A1GAAMAPT
SCHEMBL13831744 0.84 NPSR1 (0.44) NPSR1LMNAALDH1A1GAAMAPT
SCHEMBL13831121 0.83 TSHR (0.45) LMNAALDH1A1GAAMAPTUSP2
SCHEMBL13832157 0.82 TSHR (0.53) LMNAALDH1A1GAAMAPTKMT2A
SCHEMBL13831795 0.82 NPSR1 (0.42) NPSR1LMNAALDH1A1GAAMAPT
SCHEMBL13831793 0.82 ALDH1A1 (0.43) NPSR1LMNAALDH1A1GAAMAPT

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 15 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
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 NPSR1 41/4885LMNA 4714/4885ALDH1A1 3579/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885LMNA 4708/4885ALDH1A1 3568/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NPSR1 44/4885LMNA 4737/4885ALDH1A1 3549/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 41/4885LMNA 4714/4885ALDH1A1 3579/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885LMNA 4745/4885ALDH1A1 3533/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885LMNA 4745/4885ALDH1A1 3533/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885LMNA 4708/4885ALDH1A1 3568/4885

“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.