SCHEMBL13832248

SCHEMBL13832248

CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
TSHR P16473 3/20 0.42
ALDH1A1 P00352 5/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 1/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
USP2 O75604 1/20 0.40
RECQL P46063 1/20 0.40
NOD2 Q9HC29 1/20 0.40

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
SCHEMBL13831668 0.89 GAA (0.43) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13831172 0.88 HTT (0.41) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13831227 0.88 GAA (0.55) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13832143 0.86 TSHR (0.46) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13831795 0.85 NPSR1 (0.42) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13832106 0.84 GAA (0.45) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13831781 0.84 ALDH1A1 (0.53) GAAALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL13832160 0.83 GAA (0.46) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13832308 0.83 LMNA (0.55) GAATSHRALDH1A1LMNAMAPT
SCHEMBL13831710 0.83 GAA (0.43) GAATSHRALDH1A1LMNAMAPT

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 GAA 4325/4885TSHR 2971/4885ALDH1A1 3579/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 GAA 4349/4885TSHR 3088/4885ALDH1A1 3568/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 GAA 4268/4885TSHR 2891/4885ALDH1A1 3549/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 GAA 4325/4885TSHR 2971/4885ALDH1A1 3579/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 GAA 4308/4885TSHR 2976/4885ALDH1A1 3533/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 GAA 4308/4885TSHR 2976/4885ALDH1A1 3533/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 GAA 4349/4885TSHR 3088/4885ALDH1A1 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.