SCHEMBL13831773

SCHEMBL13831773

O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)Nc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.74
ALDH1A1 P00352 2/20 0.74
CYP1A2 P05177 1/20 0.74
CYP2D6 P10635 1/20 0.74
CYP2C9 P11712 1/20 0.74
CYP2C19 P33261 1/20 0.74
HTT P42858 1/20 0.74
HSD17B10 Q99714 1/20 0.70
TSHR P16473 3/20 0.66
GAA P10253 2/20 0.66
KDM4E B2RXH2 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.62
MAPT P10636 2/20 0.62
PTK2 Q05397 2/20 0.62
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
TACR1 P25103 1/20 0.61

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
SCHEMBL15983389 0.93 GAA (0.71) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13831345 0.93 CYP1A2 (0.65) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13832027 0.90 NPSR1 (0.70) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13831356 0.90 ALDH1A1 (0.65) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL4206347 0.89 ALDH1A1 (0.78) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13831928 0.88 TSHR (0.70) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13831882 0.88 KMT2A (0.71) SMN1; SMN2ALDH1A1HTTHSD17B10TSHR
SCHEMBL15983247 0.87 TSHR (0.66) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13831846 0.86 TSHR (0.62) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL13831519 0.86 TSHR (0.67) SMN1; SMN2ALDH1A1CYP1A2CYP2D6CYP2C9

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 14 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
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 SMN1; SMN2 4423/4885ALDH1A1 3579/4885CYP1A2 3818/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4355/4885ALDH1A1 3568/4885CYP1A2 3935/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 SMN1; SMN2 4493/4885ALDH1A1 3549/4885CYP1A2 3623/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4423/4885ALDH1A1 3579/4885CYP1A2 3818/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4404/4885ALDH1A1 3533/4885CYP1A2 3716/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4404/4885ALDH1A1 3533/4885CYP1A2 3716/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 SMN1; SMN2 4355/4885ALDH1A1 3568/4885CYP1A2 3935/4885

“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.