SCHEMBL13831744

SCHEMBL13831744

CCn1c(SC(C)(C)C(=O)Nc2ccccc2)nnc1-c1ccc(NCc2ccccc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
SLC27A1 Q6PCB7 4/20 0.41
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38

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
SCHEMBL14475643 0.87 ALDH1A1 (0.46) NPSR1ALDH1A1MAPK1SLC27A1TSHR
SCHEMBL13831769 0.84 NPSR1 (0.65) NPSR1ALDH1A1MAPK1SLC27A1TSHR
SCHEMBL13831787 0.84 NPSR1 (0.44) NPSR1ALDH1A1TSHRSMN1; SMN2LMNA
SCHEMBL13831714 0.83 HTT (0.40) NPSR1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL13831322 0.83 NPSR1 (0.60) NPSR1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL13831765 0.83 NPSR1 (0.43) NPSR1ALDH1A1MAPK1TSHRHTT
SCHEMBL13831793 0.81 ALDH1A1 (0.43) NPSR1ALDH1A1TSHRHTTSMN1; SMN2
SCHEMBL13831795 0.81 NPSR1 (0.42) NPSR1ALDH1A1MAPK1TSHRHTT
SCHEMBL13831745 0.81 GRK2 (0.43) ALDH1A1TSHRHTTSMN1; SMN2LMNA
SCHEMBL13831227 0.80 GAA (0.55) ALDH1A1TSHRHTTSMN1; SMN2LMNA

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 11 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-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-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
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 NPSR1 41/4885ALDH1A1 3579/4885MAPK1 1791/4885
US-10813355-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3568/4885MAPK1 1868/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 NPSR1 44/4885ALDH1A1 3549/4885MAPK1 1738/4885
US-20210219551-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 41/4885ALDH1A1 3579/4885MAPK1 1791/4885
US-10188105-B2 Compositions for inhibition of insect sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3533/4885MAPK1 1761/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3533/4885MAPK1 1761/4885
US-20190075798-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 NPSR1 47/4885ALDH1A1 3568/4885MAPK1 1868/4885

“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.