SCHEMBL6408220

SCHEMBL6408220

CCn1c(SC(C)C(=O)O)nnc1-c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 1.00
POLB P06746 2/20 1.00
KMT2A Q03164 2/20 1.00
MEN1 O00255 1/20 1.00
LMNA P02545 3/20 0.60
KDM4E B2RXH2 1/20 0.60
CDC25A P30304 1/20 0.57
CDC25B P30305 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.53
MAPK1 P28482 1/20 0.52
HTT P42858 1/20 0.52
HPGD P15428 1/20 0.51
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
USP2 O75604 1/20 0.48
MAPT P10636 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
SCHEMBL15983520 0.91 ALDH1A1 (0.83) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL4211092 0.86 ALDH1A1 (0.76) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL13831939 0.86 ALDH1A1 (0.76) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL1544781 0.84 ALDH1A1 (0.73) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL13831597 0.82 ALDH1A1 (0.68) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL6406110 0.81 HPGD (0.73) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL13831956 0.81 ALDH1A1 (0.68) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL18556551 0.81 ALDH1A1 (0.79) ALDH1A1POLBKMT2AMEN1LMNA
SCHEMBL17725680 0.81 ALDH1A1 (0.67) ALDH1A1POLBKMT2AMEN1KDM4E
SCHEMBL15969245 0.80 ALDH1A1 (0.66) ALDH1A1POLBKMT2AMEN1LMNA

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 3579/4885POLB 4840/4885KMT2A 4200/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885POLB 4832/4885KMT2A 4243/4885
US-20050288347-A1 Certain triazole-based compounds, compositions, and uses thereof ABCG2, ATP5ME, DNTT ALDH1A1 720/4885POLB 854/4885KMT2A 2263/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885POLB 4840/4885KMT2A 4200/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885POLB 4834/4885KMT2A 4264/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885POLB 4832/4885KMT2A 4243/4885

“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.