SCHEMBL13832062

SCHEMBL13832062

CCn1c(SCC(=O)Nc2cccc3c2N(C)CC3)nnc1-c1ccoc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ LMNA P02545 6/20 0.50
▸ TSHR P16473 5/20 0.50
▸ CYP3A4 P08684 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPSR1 Q6W5P4 2/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ HTT P42858 3/20 0.47
▸ MAPK1 P28482 2/20 0.47
▸ GLA P06280 1/20 0.47
▸ RORC P51449 1/20 0.46
▸ MAPT P10636 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL13832123 0.90 ALDH1A1 (0.63) ALDH1A1LMNATSHRCYP3A4KMT2A
SCHEMBL13831985 0.89 KMT2A (0.56) ALDH1A1LMNACYP3A4KMT2ACYP1A2
SCHEMBL13831854 0.87 POLB (0.62) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL15983352 0.86 ALDH1A1 (0.50) ALDH1A1LMNATSHRCYP3A4KMT2A
SCHEMBL13831617 0.86 MAPK1 (0.59) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL13832064 0.84 ALDH1A1 (0.60) ALDH1A1LMNATSHRCYP3A4NPSR1
SCHEMBL13832107 0.84 ALDH1A1 (0.53) ALDH1A1LMNATSHRCYP3A4KMT2A
SCHEMBL13831296 0.84 NPSR1 (0.62) ALDH1A1LMNATSHRKMT2ANPSR1
SCHEMBL15983381 0.80 SMN1; SMN2 (0.62) ALDH1A1LMNATSHRCYP3A4KMT2A
SCHEMBL15983379 0.79 ALDH1A1 (0.51) ALDH1A1LMNATSHRCYP3A4KMT2A

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-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 3579/4885LMNA 4714/4885TSHR 2971/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885TSHR 3088/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 ALDH1A1 3549/4885LMNA 4737/4885TSHR 2891/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3579/4885LMNA 4714/4885TSHR 2971/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885TSHR 2976/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3533/4885LMNA 4745/4885TSHR 2976/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 ALDH1A1 3568/4885LMNA 4708/4885TSHR 3088/4885

“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.

Send feedback