SCHEMBL18559353

SCHEMBL18559353

CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 1.00
▸ MAPT P10636 4/20 0.67
▸ TSHR P16473 4/20 0.65
▸ THRB P10828 1/20 0.65
▸ TP53 P04637 2/20 0.64
▸ POLB P06746 1/20 0.64
▸ MAPK1 P28482 1/20 0.64
▸ HPGD P15428 1/20 0.62
▸ USP2 O75604 2/20 0.60
▸ ALOX15 P16050 2/20 0.60
▸ CASP1 P29466 1/20 0.60
▸ CASP7 P55210 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ MEN1 O00255 1/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ KDM4E B2RXH2 1/20 0.59
▸ HTT P42858 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
SCHEMBL20682658 0.86 SMN1; SMN2 (0.76) SMN1; SMN2MAPTTSHRTP53POLB
SCHEMBL14970814 0.83 SMN1; SMN2 (0.71) SMN1; SMN2MAPTTHRBHPGDALDH1A1
SCHEMBL15986422 0.81 MAPT (1.00) SMN1; SMN2MAPTTSHRTP53POLB
SCHEMBL18559154 0.80 SMN1; SMN2 (0.85) SMN1; SMN2MAPTTSHRTHRBTP53
SCHEMBL14970841 0.80 THRB (0.68) SMN1; SMN2MAPTTHRBHPGDALDH1A1
SCHEMBL18559345 0.80 SMN1; SMN2 (1.00) SMN1; SMN2MAPTTHRBTP53MAPK1
SCHEMBL18559263 0.79 MAPT (1.00) SMN1; SMN2MAPTTSHRTP53POLB
SCHEMBL15986421 0.79 TSHR (0.89) SMN1; SMN2MAPTTSHRTP53POLB
SCHEMBL18559254 0.78 TSHR (1.00) SMN1; SMN2MAPTTSHRTP53POLB
SCHEMBL1896673 0.78 SMN1; SMN2 (0.64) SMN1; SMN2MAPTTSHRHPGDUSP2

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 5 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-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 (4 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 SMN1; SMN2 4423/4885MAPT 1741/4885TSHR 2971/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4355/4885MAPT 2086/4885TSHR 3088/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4423/4885MAPT 1741/4885TSHR 2971/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4355/4885MAPT 2086/4885TSHR 3088/4885

“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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