SCHEMBL13832123

SCHEMBL13832123

CCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.63
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ LMNA P02545 5/20 0.58
▸ TSHR P16473 4/20 0.58
▸ GLA P06280 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ CYP3A4 P08684 2/20 0.56
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ HTT P42858 1/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ RECQL P46063 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ NOD2 Q9HC29 1/20 0.54
▸ NPSR1 Q6W5P4 2/20 0.54
▸ GAA P10253 2/20 0.54
▸ TP53 P04637 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL13831985 0.93 KMT2A (0.56) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL13831617 0.91 MAPK1 (0.59) ALDH1A1MEN1KMT2ALMNAMAPK1
SCHEMBL13832062 0.90 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL15983352 0.89 ALDH1A1 (0.50) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL13831296 0.88 NPSR1 (0.62) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL13832064 0.87 ALDH1A1 (0.60) ALDH1A1LMNATSHRCYP3A4CYP2C9
SCHEMBL13831854 0.86 POLB (0.62) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL13832226 0.83 MEN1 (0.64) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL4210908 0.80 ALDH1A1 (0.78) ALDH1A1MEN1KMT2ALMNATSHR
SCHEMBL13832073 0.80 MEN1 (0.69) ALDH1A1MEN1KMT2ALMNATSHR

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 16 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-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
EP-2704575-B1 COMPOSITION FOR INHIBITION OF INSECT SENSING UNIV VANDERBILT (US) 2020-06-03 — — EP disclosed
EP-3653054-A1 COMPOSITION FOR INHIBITION OF INSECT SENSING Vanderbilt University (US) 2020-05-20 — — EP 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-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 — — US disclosed
US-20170208809-A1 Compositions for Inhibition of Insect Sensing VANDERBILT UNIVERSITY 2017-07-27 — — US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — US disclosed
US-9578881-B2 Compositions for inhibition of insect sensing VANDERBILT UNIVERSITY (US) 2017-02-28 — — US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 — — US disclosed
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2014-08-28 — — US disclosed
WO-2012154403-A9 COMPOSITIONS FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2013-01-03 — — WO disclosed
WO-2012154403-A2 COMPOSITION FOR INHIBITION OF INSECT SENSING VANDERBILT UNIVERSITY (US) 2012-11-15 — — WO 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 (7 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-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885MEN1 1662/4885KMT2A 4216/4885
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-20170208809-A1 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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