SCHEMBL13831765

SCHEMBL13831765

CCN(CC)c1ccc(-c2nnc(SC(C)(C)C(=O)Nc3ccccc3)n2CC)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.43
ALDH1A1 P00352 7/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NOX1 Q9Y5S8 1/20 0.41
LMNA P02545 4/20 0.40
MAPT P10636 2/20 0.40
MAPK1 P28482 2/20 0.40
HPGD P15428 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
HTT P42858 1/20 0.37
CYP2C19 P33261 1/20 0.37
GFER P55789 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 3/20 0.36
USP2 O75604 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL13832160 0.88 GAA (0.46) NPSR1ALDH1A1NPC1RAB9AMEN1
SCHEMBL13831787 0.84 NPSR1 (0.44) NPSR1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL13831322 0.84 NPSR1 (0.60) NPSR1ALDH1A1NPC1RAB9ALMNA
SCHEMBL13832284 0.83 NPSR1 (0.63) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13831744 0.83 NPSR1 (0.44) NPSR1ALDH1A1NPC1RAB9AKMT2A
SCHEMBL13831747 0.82 HTT (0.41) NPSR1ALDH1A1MEN1KMT2ALMNA
SCHEMBL13831793 0.81 ALDH1A1 (0.43) NPSR1ALDH1A1NPC1RAB9AMEN1
SCHEMBL13831795 0.81 NPSR1 (0.42) NPSR1ALDH1A1NPC1RAB9AMEN1
SCHEMBL13831766 0.80 NPSR1 (0.42) NPSR1ALDH1A1NPC1RAB9AMEN1
SCHEMBL13831227 0.80 GAA (0.55) ALDH1A1NPC1RAB9AMEN1KMT2A

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 NPSR1 41/4885ALDH1A1 3579/4885NPC1 538/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3568/4885NPC1 577/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NPSR1 44/4885ALDH1A1 3549/4885NPC1 527/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 41/4885ALDH1A1 3579/4885NPC1 538/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3533/4885NPC1 573/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3533/4885NPC1 573/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3568/4885NPC1 577/4885

“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.