SCHEMBL18559053

SCHEMBL18559053

CCn1c(SCC(=O)Nc2ccc(C)cc2F)nnc1-c1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.69
▸ GAA P10253 1/20 0.69
▸ USP2 O75604 2/20 0.67
▸ MAPK1 P28482 2/20 0.66
▸ MAPT P10636 2/20 0.64
▸ LMNA P02545 4/20 0.63
▸ HTT P42858 1/20 0.63
▸ KMT2A Q03164 2/20 0.61
▸ MEN1 O00255 1/20 0.57
▸ CDC25A P30304 1/20 0.56
▸ CDC25B P30305 1/20 0.56
▸ RXFP1 Q9HBX9 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
SCHEMBL13831730 0.91 ALDH1A1 (0.67) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL18559315 0.91 ALDH1A1 (0.67) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL13831736 0.91 ALDH1A1 (0.80) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL13831756 0.90 ALDH1A1 (0.66) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL14478853 0.90 MAPT (0.79) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL13737637 0.85 KMT2A (0.75) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL18559319 0.84 ALDH1A1 (0.67) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL15986083 0.84 ALDH1A1 (0.67) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL18559117 0.82 MAPK1 (0.64) ALDH1A1GAAUSP2MAPK1MAPT
SCHEMBL18556524 0.82 ALDH1A1 (0.65) ALDH1A1GAAUSP2MAPK1MAPT

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 3579/4885GAA 4325/4885USP2 2348/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885GAA 4349/4885USP2 2256/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885GAA 4325/4885USP2 2348/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885GAA 4308/4885USP2 2329/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885GAA 4349/4885USP2 2256/4885

“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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