SCHEMBL18559346

SCHEMBL18559346

CCn1c(CNc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.80
▸ MAPK1 P28482 1/20 0.80
▸ MAPT P10636 3/20 0.71
▸ GAA P10253 2/20 0.71
▸ HPGD P15428 1/20 0.71
▸ ALOX15 P16050 1/20 0.71
▸ HTT P42858 1/20 0.71
▸ HSD17B10 Q99714 1/20 0.71
▸ SLC27A1 Q6PCB7 4/20 0.68
▸ SMN1; SMN2 Q16637 3/20 0.68
▸ LMNA P02545 2/20 0.68
▸ MEN1 O00255 1/20 0.68
▸ KMT2A Q03164 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.67
▸ TP53 P04637 1/20 0.64

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
SCHEMBL18559322 1.00 ALDH1A1 (0.80) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL18559350 0.89 ALDH1A1 (1.00) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL4211196 0.89 ALDH1A1 (0.90) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL4209247 0.88 ALDH1A1 (0.68) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL4212070 0.88 ALDH1A1 (0.68) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL18559230 0.86 ALDH1A1 (0.82) ALDH1A1MAPK1MAPTHPGDSLC27A1
SCHEMBL4206813 0.85 ALDH1A1 (0.64) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL11888617 0.81 LMNA (0.67) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL18559321 0.81 ALDH1A1 (0.60) ALDH1A1MAPK1MAPTGAAHPGD
SCHEMBL4210220 0.80 TSHR (0.82) ALDH1A1MAPTGAAALOX15HTT

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 3579/4885MAPK1 1791/4885MAPT 1741/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPK1 1868/4885MAPT 2086/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885MAPK1 1791/4885MAPT 1741/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPK1 1761/4885MAPT 2002/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPK1 1868/4885MAPT 2086/4885

“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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