SCHEMBL13832245

SCHEMBL13832245

CCn1c(SC(C(=O)Nc2ccccc2)C2CC2)nnc1-c1cccs1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ALDH1A1 P00352 9/20 0.53
HSD17B10 Q99714 6/20 0.53
KDM4E B2RXH2 4/20 0.53
HPGD P15428 3/20 0.53
RAB9A P51151 2/20 0.53
TDP1 Q9NUW8 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 2/20 0.52
CYP2C19 P33261 2/20 0.52
NPC1 O15118 1/20 0.52
CYP1A2 P05177 1/20 0.52
GAA P10253 1/20 0.52
CYP2D6 P10635 1/20 0.52
USP2 O75604 3/20 0.52
NPSR1 Q6W5P4 3/20 0.50
MAPT P10636 3/20 0.50
POLB P06746 4/20 0.49
RXFP1 Q9HBX9 2/20 0.49

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
SCHEMBL13831526 0.87 GAA (0.50) MEN1KMT2AALDH1A1KDM4ERAB9A
SCHEMBL13832025 0.86 ALDH1A1 (0.48) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL13832259 0.85 MEN1 (0.62) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL13831840 0.85 MEN1 (0.41) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL13832227 0.84 ALDH1A1 (0.56) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL13831312 0.83 NPSR1 (0.55) MEN1KMT2AALDH1A1HPGDRAB9A
SCHEMBL13832336 0.82 POLB (0.55) MEN1KMT2AALDH1A1HSD17B10HPGD
SCHEMBL13832059 0.82 NPSR1 (0.55) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL22046961 0.82 KMT2A (0.42) MEN1KMT2AALDH1A1HSD17B10KDM4E
SCHEMBL13831940 0.81 ALDH1A1 (0.61) MEN1KMT2AALDH1A1KDM4EHPGD

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 MEN1 1675/4885KMT2A 4200/4885ALDH1A1 3579/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 MEN1 1871/4885KMT2A 4243/4885ALDH1A1 3568/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 MEN1 1662/4885KMT2A 4216/4885ALDH1A1 3549/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MEN1 1675/4885KMT2A 4200/4885ALDH1A1 3579/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 MEN1 1865/4885KMT2A 4264/4885ALDH1A1 3533/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MEN1 1865/4885KMT2A 4264/4885ALDH1A1 3533/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 MEN1 1871/4885KMT2A 4243/4885ALDH1A1 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.