SCHEMBL13832019

SCHEMBL13832019

CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2F)nnc1-c1ccncc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.61
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ TP53 P04637 1/20 0.57
▸ KDM4E B2RXH2 2/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ KMT2A Q03164 2/20 0.54
▸ LMNA P02545 4/20 0.54
▸ HTT P42858 1/20 0.54
▸ RAB9A P51151 1/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ HPGD P15428 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HDAC2 Q92769 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ GAA P10253 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
SCHEMBL13831487 0.92 MEN1 (0.61) ALDH1A1SMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL13831756 0.89 ALDH1A1 (0.66) ALDH1A1KMT2ALMNAHTTMEN1
SCHEMBL15983349 0.88 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KMT2ALMNAHTT
SCHEMBL15983378 0.88 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2KMT2ALMNAMEN1
SCHEMBL15986485 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL13832018 0.88 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL15983260 0.87 SMN1; SMN2 (0.69) ALDH1A1SMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL15983289 0.85 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA
SCHEMBL13831078 0.85 NPSR1 (0.64) ALDH1A1TP53KDM4EHSD17B10KMT2A
SCHEMBL15986406 0.84 KMT2A (0.70) ALDH1A1SMN1; SMN2TP53KDM4EHSD17B10

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 15 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
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 3579/4885SMN1; SMN2 4423/4885TP53 4604/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885SMN1; SMN2 4355/4885TP53 4651/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885SMN1; SMN2 4493/4885TP53 4606/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885SMN1; SMN2 4423/4885TP53 4604/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885SMN1; SMN2 4404/4885TP53 4649/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885SMN1; SMN2 4404/4885TP53 4649/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885SMN1; SMN2 4355/4885TP53 4651/4885

“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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