SCHEMBL18559238

SCHEMBL18559238

CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 1.00
▸ GAA P10253 1/20 1.00
▸ NPSR1 Q6W5P4 1/20 1.00
▸ CYP3A4 P08684 1/20 0.78
▸ CYP2D6 P10635 1/20 0.78
▸ CYP2C19 P33261 1/20 0.78
▸ CTDSP1 Q9GZU7 1/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ KMT2A Q03164 2/20 0.72
▸ LMNA P02545 1/20 0.65
▸ POLB P06746 1/20 0.60
▸ THRB P10828 1/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ TP53 P04637 1/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL18559342 0.91 ALDH1A1 (1.00) ALDH1A1GAANPSR1CYP3A4CYP2D6
SCHEMBL18559250 0.88 CYP3A4 (1.00) ALDH1A1GAANPSR1CYP3A4CYP2D6
SCHEMBL18559080 0.86 ALDH1A1 (0.83) ALDH1A1GAANPSR1CYP3A4CYP2D6
SCHEMBL18558952 0.84 ALDH1A1 (1.00) ALDH1A1GAANPSR1CYP3A4CYP2D6
SCHEMBL20682661 0.81 SMN1; SMN2 (0.79) ALDH1A1GAANPSR1CYP3A4CYP2D6
SCHEMBL18559346 0.80 ALDH1A1 (0.80) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL18559322 0.80 ALDH1A1 (0.80) ALDH1A1GAANPSR1SMN1; SMN2MEN1
SCHEMBL18559251 0.79 ALDH1A1 (0.68) ALDH1A1GAANPSR1MEN1KMT2A
SCHEMBL4209247 0.78 ALDH1A1 (0.68) ALDH1A1GAANPSR1LMNAPOLB
SCHEMBL4212070 0.76 ALDH1A1 (0.68) ALDH1A1GAANPSR1MEN1KMT2A

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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