SCHEMBL18559342

SCHEMBL18559342

CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 1.00
▸ GAA P10253 1/20 0.84
▸ NPSR1 Q6W5P4 1/20 0.84
▸ SMN1; SMN2 Q16637 2/20 0.80
▸ MEN1 O00255 2/20 0.80
▸ KMT2A Q03164 2/20 0.80
▸ CYP3A4 P08684 1/20 0.70
▸ CYP2D6 P10635 1/20 0.70
▸ CYP2C19 P33261 1/20 0.70
▸ CTDSP1 Q9GZU7 1/20 0.70
▸ LMNA P02545 1/20 0.67
▸ TSHR P16473 1/20 0.60
▸ SLC27A1 Q6PCB7 4/20 0.59
▸ THRB P10828 1/20 0.57
▸ MAPT P10636 1/20 0.55
▸ HTT P42858 1/20 0.55

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
SCHEMBL18559238 0.91 ALDH1A1 (1.00) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL18558952 0.89 ALDH1A1 (1.00) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL18559080 0.88 ALDH1A1 (0.83) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL18559250 0.82 CYP3A4 (1.00) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL20682661 0.81 SMN1; SMN2 (0.79) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL15986095 0.76 LMNA (0.67) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL4210314 0.75 TSHR (1.00) ALDH1A1GAASMN1; SMN2MEN1KMT2A
SCHEMBL29327531 0.74 ALDH1A1 (0.60) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL18559154 0.74 SMN1; SMN2 (0.85) ALDH1A1SMN1; SMN2LMNATSHRSLC27A1
SCHEMBL15986499 0.74 TSHR (0.86) ALDH1A1GAANPSR1SMN1; SMN2KMT2A

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 4325/4885NPSR1 41/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885GAA 4349/4885NPSR1 47/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885GAA 4325/4885NPSR1 41/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885GAA 4308/4885NPSR1 47/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885GAA 4349/4885NPSR1 47/4885

“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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