SCHEMBL13832018

SCHEMBL13832018

CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC)c(F)c1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TP53 P04637 1/20 0.58
▸ KDM4E B2RXH2 2/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ LMNA P02545 5/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ HTT P42858 1/20 0.55
▸ MEN1 O00255 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ HDAC2 Q92769 1/20 0.52

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
SCHEMBL13831467 0.91 MEN1 (0.62) ALDH1A1SMN1; SMN2KDM4ELMNAKMT2A
SCHEMBL13831730 0.89 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2HSD17B10LMNAKMT2A
SCHEMBL15986485 0.89 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL13831128 0.88 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAKMT2AHTT
SCHEMBL13832019 0.88 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL13832113 0.88 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2LMNAKMT2AMEN1
SCHEMBL15983308 0.85 ALDH1A1 (0.73) ALDH1A1SMN1; SMN2KDM4EHSD17B10LMNA
SCHEMBL13831144 0.84 NPSR1 (0.65) ALDH1A1TP53KDM4EHSD17B10LMNA
SCHEMBL13830965 0.84 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2TP53KDM4EHSD17B10
SCHEMBL13832314 0.83 POLB (0.65) ALDH1A1SMN1; SMN2HSD17B10LMNAKMT2A

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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