SCHEMBL13831963

SCHEMBL13831963

C=CCC(Sc1nnc(-c2ccncc2)n1C(=O)OC(C)(C)C)C(=O)Nc1ccc(CC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 1/20 0.38
CYP17A1 P05093 1/20 0.38
LMNA P02545 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 5/20 0.37
HDAC2 Q92769 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK1 P28482 2/20 0.37
RAB9A P51151 2/20 0.36
POLB P06746 2/20 0.36
TP53 P04637 2/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL13831488 0.93 KDM4E (0.41) SMN1; SMN2MAPTLMNAALDH1A1RAB9A
SCHEMBL13831609 0.91 HPGD (0.42) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL15983351 0.90 ALDH1A1 (0.36) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL13832117 0.88 ALDH1A1 (0.36) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL15983305 0.87 ALDH1A1 (0.50) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL13831270 0.87 NPSR1 (0.41) MAPTLMNAALDH1A1L3MBTL1MAPK1
SCHEMBL13831809 0.85 RXFP1 (0.44) SMN1; SMN2MAPTLMNAKMT2AMEN1
SCHEMBL13832023 0.81 GAA (0.41) PTK2SMN1; SMN2MAPTALDH1A1POLB
SCHEMBL22018554 0.80 MEN1 (0.34) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL13831975 0.80 MAPT (0.57) PTK2SMN1; SMN2MAPTKMT2AALDH1A1

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 PTK2 3985/4885SMN1; SMN2 4423/4885MAPT 1741/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 PTK2 3931/4885SMN1; SMN2 4355/4885MAPT 2086/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 PTK2 3990/4885SMN1; SMN2 4493/4885MAPT 1681/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 PTK2 3985/4885SMN1; SMN2 4423/4885MAPT 1741/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 PTK2 3941/4885SMN1; SMN2 4404/4885MAPT 2002/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 PTK2 3941/4885SMN1; SMN2 4404/4885MAPT 2002/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 PTK2 3931/4885SMN1; SMN2 4355/4885MAPT 2086/4885

“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.