SCHEMBL18559212

SCHEMBL18559212

CCOc1ccc(NC(=O)CSc2nnc(C(C)C)n2CC)cc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.85
▸ TSHR P16473 2/20 0.66
▸ ALDH1A1 P00352 4/20 0.61
▸ SMN1; SMN2 Q16637 3/20 0.61
▸ TP53 P04637 1/20 0.61
▸ GLA P06280 1/20 0.61
▸ THRB P10828 1/20 0.60
▸ NPSR1 Q6W5P4 2/20 0.59
▸ GAA P10253 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ CYP2C9 P11712 1/20 0.59
▸ CYP2C19 P33261 1/20 0.59
▸ LMNA P02545 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ RAB9A P51151 1/20 0.59
▸ POLB P06746 2/20 0.58
▸ KDM4C Q9H3R0 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ RECQL P46063 1/20 0.57
▸ NPC1 O15118 1/20 0.56

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
SCHEMBL19520385 0.85 L3MBTL1 (0.62) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL4203644 0.81 POLB (0.78) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL18559294 0.80 TSHR (0.88) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL18559209 0.80 TSHR (1.00) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL4213953 0.79 MAPT (0.75) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL4198033 0.79 MAPT (0.71) L3MBTL1TSHRALDH1A1SMN1; SMN2THRB
SCHEMBL4197010 0.78 MAPT (0.62) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL18559194 0.78 TSHR (0.81) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL18559039 0.78 TSHR (0.76) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53
SCHEMBL15986564 0.77 TSHR (0.84) L3MBTL1TSHRALDH1A1SMN1; SMN2TP53

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 L3MBTL1 1987/4885TSHR 2971/4885ALDH1A1 3579/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 L3MBTL1 1904/4885TSHR 3088/4885ALDH1A1 3568/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 L3MBTL1 1987/4885TSHR 2971/4885ALDH1A1 3579/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 L3MBTL1 2061/4885TSHR 2976/4885ALDH1A1 3533/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 L3MBTL1 1904/4885TSHR 3088/4885ALDH1A1 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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