SCHEMBL13831968

SCHEMBL13831968

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1cncc(N(C)C)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.68
LMNA P02545 4/20 0.68
MAPK1 P28482 3/20 0.68
MAPT P10636 3/20 0.68
USP2 O75604 2/20 0.56
TP53 P04637 1/20 0.56
TSHR P16473 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 2/20 0.53
HTT P42858 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL13831823 0.89 ALDH1A1 (0.79) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL15983215 0.88 LMNA (0.64) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL14475414 0.87 ALDH1A1 (0.77) ALDH1A1LMNAMAPK1MAPTTP53
SCHEMBL13831683 0.87 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL13831725 0.87 ALDH1A1 (0.60) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL13831994 0.87 ALDH1A1 (0.58) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL13831170 0.86 ALDH1A1 (0.59) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL13831151 0.84 ALDH1A1 (0.62) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL13831164 0.84 ALDH1A1 (0.56) ALDH1A1LMNAMAPK1MAPTUSP2
SCHEMBL20813021 0.84 ALDH1A1 (0.55) ALDH1A1LMNAMAPK1MAPTUSP2

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 3579/4885LMNA 4714/4885MAPK1 1791/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885MAPK1 1868/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885LMNA 4737/4885MAPK1 1738/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885LMNA 4714/4885MAPK1 1791/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885MAPK1 1761/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885MAPK1 1761/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885MAPK1 1868/4885

“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.