SCHEMBL18558450

SCHEMBL18558450

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 1.00
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ LMNA P02545 3/20 1.00
▸ TSHR P16473 2/20 1.00
▸ L3MBTL1 Q9Y468 2/20 0.70
▸ KMT2A Q03164 4/20 0.68
▸ MEN1 O00255 3/20 0.68
▸ PKM P14618 1/20 0.68
▸ KDM4E B2RXH2 4/20 0.65
▸ HPGD P15428 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ POLB P06746 1/20 0.63
▸ GAA P10253 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ MAPT P10636 1/20 0.62
▸ TP53 P04637 1/20 0.62
▸ USP2 O75604 1/20 0.61

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
SCHEMBL13831911 0.84 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL13831825 0.84 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL14475632 0.82 LMNA (0.72) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL13831528 0.82 TP53 (0.74) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL13832080 0.82 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL4209148 0.81 ALDH1A1 (0.69) ALDH1A1SMN1; SMN2LMNATSHRL3MBTL1
SCHEMBL15983395 0.81 LMNA (0.82) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL13832279 0.81 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2LMNATSHRKMT2A
SCHEMBL4210772 0.80 LMNA (0.84) ALDH1A1SMN1; SMN2LMNATSHRKDM4E
SCHEMBL13831897 0.80 LMNA (0.67) ALDH1A1SMN1; SMN2LMNATSHRKDM4E

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 6 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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 3579/4885SMN1; SMN2 4423/4885LMNA 4714/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885SMN1; SMN2 4355/4885LMNA 4708/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885SMN1; SMN2 4423/4885LMNA 4714/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885SMN1; SMN2 4404/4885LMNA 4745/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885SMN1; SMN2 4355/4885LMNA 4708/4885

“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.

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