SCHEMBL13831970

SCHEMBL13831970

CCn1c(SCC(=O)Nc2cccc3c2CCC3)nnc1-c1ccncc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ MAPT P10636 1/20 0.59
▸ KMT2A Q03164 2/20 0.57
▸ MEN1 O00255 1/20 0.57
▸ LMNA P02545 3/20 0.56
▸ GAA P10253 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ HTT P42858 1/20 0.56
▸ HDAC2 Q92769 1/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ HSD17B10 Q99714 1/20 0.55
▸ MAPK1 P28482 2/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ TDP1 Q9NUW8 2/20 0.54
▸ GLA P06280 1/20 0.54
▸ TSHR P16473 1/20 0.54

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
SCHEMBL13832226 0.93 MEN1 (0.64) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL13831606 0.90 MAPK1 (0.61) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL13831178 0.89 ALDH1A1 (0.51) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL13832107 0.88 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15983311 0.86 POLB (0.63) ALDH1A1MAPTKMT2ALMNAGAA
SCHEMBL13831274 0.86 NPSR1 (0.64) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL15983324 0.84 POLB (0.64) ALDH1A1MAPTKMT2AMEN1LMNA
SCHEMBL13831985 0.84 KMT2A (0.56) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL15983264 0.81 KMT2A (0.66) ALDH1A1KMT2AMEN1LMNATP53
SCHEMBL13831958 0.81 CYP3A4 (0.65) ALDH1A1KMT2AMEN1LMNATP53

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 3579/4885MAPT 1741/4885KMT2A 4200/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPT 2086/4885KMT2A 4243/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885MAPT 1681/4885KMT2A 4216/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885MAPT 1741/4885KMT2A 4200/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPT 2002/4885KMT2A 4264/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885MAPT 2002/4885KMT2A 4264/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885MAPT 2086/4885KMT2A 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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