SCHEMBL13831755

SCHEMBL13831755

CCc1ccc(NC(=O)CSc2nnc(-c3ccc(N(CC)CC)nc3)n2CC)cc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
LMNA P02545 2/20 0.59
MAPT P10636 5/20 0.54
MAPK1 P28482 1/20 0.54
NPSR1 Q6W5P4 4/20 0.52
PKM P14618 1/20 0.50
POLB P06746 4/20 0.49
KDM4E B2RXH2 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
HSD17B10 Q99714 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
TP53 P04637 1/20 0.48

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
SCHEMBL13831792 0.92 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL13831171 0.91 LMNA (0.58) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL19160513 0.88 LMNA (0.67) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL15983220 0.88 ALDH1A1 (0.65) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL15983256 0.86 ALDH1A1 (0.59) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL13831789 0.86 ALDH1A1 (0.63) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL13831717 0.84 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL13831790 0.84 ALDH1A1 (0.60) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL15983404 0.83 LMNA (0.82) ALDH1A1LMNAMAPTMAPK1NPSR1
SCHEMBL13832013 0.82 ALDH1A1 (0.61) ALDH1A1LMNAMAPTMAPK1NPSR1

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 14 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
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 3579/4885LMNA 4714/4885MAPT 1741/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885MAPT 2086/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885LMNA 4737/4885MAPT 1681/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885LMNA 4714/4885MAPT 1741/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885MAPT 2002/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885MAPT 2002/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885MAPT 2086/4885

“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.