SCHEMBL18559324

SCHEMBL18559324

CCSCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 1.00
▸ MEN1 O00255 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ POLB P06746 2/20 0.61
▸ APOBEC3A P31941 1/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.60
▸ APOBEC3G Q9HC16 1/20 0.60
▸ GAA P10253 1/20 0.60
▸ NPSR1 Q6W5P4 1/20 0.60
▸ SLC27A1 Q6PCB7 1/20 0.59
▸ TSHR P16473 1/20 0.59
▸ USP2 O75604 1/20 0.57
▸ MAPT P10636 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ MAPK1 P28482 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
SCHEMBL15983718 0.90 ALDH1A1 (0.82) ALDH1A1MEN1KMT2APOLBAPOBEC3A
SCHEMBL4214191 0.83 TSHR (0.86) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL4209247 0.81 ALDH1A1 (0.68) ALDH1A1POLBGAANPSR1SLC27A1
SCHEMBL4212070 0.81 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL18559346 0.80 ALDH1A1 (0.80) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL18559322 0.80 ALDH1A1 (0.80) ALDH1A1MEN1KMT2ASMN1; SMN2GAA
SCHEMBL4210817 0.78 ALDH1A1 (0.72) ALDH1A1POLBSMN1; SMN2GAANPSR1
SCHEMBL4206813 0.78 ALDH1A1 (0.64) ALDH1A1MEN1KMT2APOLBGAA
SCHEMBL13831451 0.77 ALDH1A1 (0.69) ALDH1A1KMT2APOLBSMN1; SMN2GAA
SCHEMBL18559251 0.76 ALDH1A1 (0.68) ALDH1A1MEN1KMT2APOLBGAA

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 3579/4885MEN1 1675/4885KMT2A 4200/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MEN1 1871/4885KMT2A 4243/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885MEN1 1675/4885KMT2A 4200/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MEN1 1865/4885KMT2A 4264/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MEN1 1871/4885KMT2A 4243/4885

“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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