SCHEMBL13831745

SCHEMBL13831745

CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccnc(NCc2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 2/20 0.43
ROCK2 O75116 1/20 0.42
PRKCA P17252 1/20 0.42
GRK5 P34947 1/20 0.42
GRK3 P35626 1/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
NOS2 P35228 1/20 0.40
MAPK14 Q16539 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NPC1 O15118 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL13831714 0.87 HTT (0.40) KDM4EALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL14475643 0.86 ALDH1A1 (0.46) GRK2ROCK2PRKCAGRK5GRK3
SCHEMBL13831786 0.84 ALDH1A1 (0.58) KDM4EALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13831696 0.83 GAA (0.45) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13831784 0.82 HTT (0.42) KDM4EALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL13831781 0.82 ALDH1A1 (0.53) KDM4EALDH1A1HTTSMN1; SMN2KMT2A
SCHEMBL13831227 0.82 GAA (0.55) KDM4EALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13831744 0.81 NPSR1 (0.44) ALDH1A1HTTSMN1; SMN2NPC1KMT2A
SCHEMBL13832248 0.79 GAA (0.43) KDM4EALDH1A1HTTSMN1; SMN2NPC1
SCHEMBL13832143 0.79 TSHR (0.46) KDM4EALDH1A1HTTSMN1; SMN2NPC1

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 GRK2 248/4885ROCK2 3851/4885PRKCA 4238/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 GRK2 232/4885ROCK2 3741/4885PRKCA 3999/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 GRK2 242/4885ROCK2 3800/4885PRKCA 4337/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 GRK2 248/4885ROCK2 3851/4885PRKCA 4238/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 GRK2 229/4885ROCK2 3692/4885PRKCA 4120/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 GRK2 229/4885ROCK2 3692/4885PRKCA 4120/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 GRK2 232/4885ROCK2 3741/4885PRKCA 3999/4885

“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.