SCHEMBL13832258

SCHEMBL13832258

CCn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
ALDH1A1 P00352 5/20 0.64
TSHR P16473 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MAPT P10636 3/20 0.62
TP53 P04637 2/20 0.59
KDM4E B2RXH2 2/20 0.59
NPC1 O15118 1/20 0.57
POLB P06746 1/20 0.57
GAA P10253 1/20 0.57
HPGD P15428 1/20 0.57
RAB9A P51151 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
HTT P42858 1/20 0.57
USP2 O75604 1/20 0.56
RECQL P46063 1/20 0.56
NOD2 Q9HC29 1/20 0.56

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
SCHEMBL13832091 0.89 ALDH1A1 (0.62) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL14475632 0.88 LMNA (0.72) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL13831528 0.88 TP53 (0.74) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL13831632 0.88 ALDH1A1 (0.55) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL4210196 0.87 ALDH1A1 (0.73) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL13831299 0.87 NPSR1 (0.63) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL15983395 0.87 LMNA (0.82) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL13831630 0.87 ALDH1A1 (0.58) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL4210772 0.86 LMNA (0.84) LMNAALDH1A1TSHRSMN1; SMN2MAPT
SCHEMBL13832105 0.85 LMNA (0.72) LMNAALDH1A1TSHRSMN1; SMN2MAPT

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 9 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-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 (3 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 LMNA 4714/4885ALDH1A1 3579/4885TSHR 2971/4885
US-20140242135-A1 COMPOSITIONS FOR INHIBITION OF INSECT SENSING OR51E2, TRPA1, OR10J3 LMNA 4737/4885ALDH1A1 3549/4885TSHR 2891/4885
US-20170208809-A1 Compositions for Inhibition of Insect Sensing OR51E2, TRPA1, OR10J3 LMNA 4745/4885ALDH1A1 3533/4885TSHR 2976/4885

“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.