SCHEMBL6406823

SCHEMBL6406823

O=C(O)CCSc1nnc(-c2cccnc2)n1-c1ccccc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
HDAC2 Q92769 2/20 0.64
HDAC3 O15379 1/20 0.64
PTK2 Q05397 1/20 0.64
HDAC1 Q13547 1/20 0.64
HDAC8 Q9BY41 1/20 0.64
HDAC6 Q9UBN7 1/20 0.64
RXRA P19793 1/20 0.64
RXRB P28702 1/20 0.64
RXRG P48443 1/20 0.64
HPGD P15428 1/20 0.64
MAPT P10636 3/20 0.58
MAPK1 P28482 2/20 0.58
ABL1 P00519 1/20 0.57
LMNA P02545 1/20 0.57
RIN1 Q13671 1/20 0.57
GAA P10253 1/20 0.56
HSD17B10 Q99714 1/20 0.55

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
SCHEMBL15983434 0.84 ALDH1A1 (0.77) ALDH1A1KMT2AMEN1MAPTMAPK1
SCHEMBL18556527 0.83 ALDH1A1 (0.68) ALDH1A1HDAC2HDAC3PTK2HDAC1
SCHEMBL18556550 0.81 ALDH1A1 (0.69) ALDH1A1KMT2AMEN1HDAC2PTK2
SCHEMBL18556583 0.81 RECQL (0.62) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL11511053 0.81 MAPK1 (0.79) ALDH1A1KMT2AMEN1PTK2MAPT
SCHEMBL27171349 0.81 MEN1 (0.63) ALDH1A1KMT2AMEN1HDAC2HDAC3
SCHEMBL30828808 0.81 MEN1 (0.63) ALDH1A1KMT2AMEN1HDAC2HDAC3
SCHEMBL6404820 0.81 KMT2A (0.76) ALDH1A1KMT2AMEN1HPGDMAPT
SCHEMBL18559070 0.80 KMT2A (0.81) ALDH1A1KMT2AMEN1PTK2MAPT
SCHEMBL18556577 0.80 POLB (0.73) ALDH1A1KMT2AMEN1HPGDMAPT

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 9 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-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-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof AGRIUS GROUP, LLC. 2005-12-29 US 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 (6 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 3579/4885KMT2A 4200/4885MEN1 1675/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885MEN1 1871/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885KMT2A 2263/4885MEN1 3562/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885KMT2A 4200/4885MEN1 1675/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885KMT2A 4264/4885MEN1 1865/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885KMT2A 4243/4885MEN1 1871/4885

“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.