SCHEMBL18559082

SCHEMBL18559082

CCn1c(COc2cccc(OC)c2)nnc1SCC(=O)Nc1cc(OC)ccc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 12/20 1.00
▸ LMNA P02545 6/20 1.00
▸ ALDH1A1 P00352 5/20 0.90
▸ CYP1A2 P05177 1/20 0.90
▸ CYP3A4 P08684 1/20 0.90
▸ CYP2C19 P33261 1/20 0.90
▸ MAPT P10636 8/20 0.88
▸ SMN1; SMN2 Q16637 1/20 0.84
▸ MEN1 O00255 5/20 0.77
▸ KMT2A Q03164 5/20 0.77
▸ USP2 O75604 2/20 0.67
▸ MAPK1 P28482 3/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ NPSR1 Q6W5P4 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ PTGES O14684 1/20 0.59

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
SCHEMBL15986415 0.95 TSHR (1.00) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15986587 0.94 MAPT (1.00) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15986089 0.91 TSHR (0.84) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15986548 0.91 SMN1; SMN2 (1.00) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15986422 0.87 MAPT (1.00) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15986500 0.87 MAPT (1.00) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15986423 0.87 TSHR (1.00) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL15986447 0.77 TSHR (1.00) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL4200897 0.75 ALDH1A1 (0.75) TSHRLMNAALDH1A1CYP1A2CYP3A4
SCHEMBL18559263 0.75 MAPT (1.00) TSHRLMNAALDH1A1MAPTSMN1; SMN2

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 TSHR 2971/4885LMNA 4714/4885ALDH1A1 3579/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TSHR 3088/4885LMNA 4708/4885ALDH1A1 3568/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 2971/4885LMNA 4714/4885ALDH1A1 3579/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 TSHR 2976/4885LMNA 4745/4885ALDH1A1 3533/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 TSHR 3088/4885LMNA 4708/4885ALDH1A1 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.

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